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Listings

Company	Job Title (click on title to follow external link)	City	Country	Job type	Deadline	Added
Open Free Energy (OMSF)	Software Engineer	remote	remote	Industrial		03 October 2022
University of Saint Joseph	PhD in Design of Antimicrobial Peptides	Macao	Macao SAR, China	PhD		05 July 2022
D. E. Shaw Research	Scientific Software Developers for Drug Discovery	New York City, NY	USA	Industry		23 June 2022
D. E. Shaw Research	Machine Learning -- Computational Biochemistry and Drug Discovery	New York City, NY	USA	Industry		23 June 2022
TandemAI	Director, Head of Software Engineering	New York City, NY	USA	Industry		23 June 2022
TandemAI	Sr./Principal Software Engineer	New York City, NY	USA	Industry		23 June 2022
Pfizer Inc.	Computational Software Engineer	LaJolla, CA	USA	Industry		6 June 2022
Pfizer Inc.	Computational Chemist, Machine Learning	Cambridge, MA	USA	Industry		20 Feb 2022
D. E. Shaw Research	Scientific Software Developers for Drug Discovery	New York City, NY	USA	Industry		20 Feb 2022
D. E. Shaw Research	Machine Learning Engineers	New York City, NY	USA	Industry		20 Feb 2022
Merck	Senior Scientist Computational Chemistry	Boston, MA	USA	Industry		25 Jan 2022
St Jude Children's Research Hospital	Postdoctoral Research Associate	Memphis, TN	USA	Postdoc		12 December 2021
D E Shaw Research	Machine learning engineers	New York City, NY	USA	Industrial		12 December 2021
D E Shaw Research	Software developers for Drug Discovery	New York City, NY	USA	Industrial		12 December 2021
Wiley	Assistant Editor	remote, or flexible working at: Hoboken (NJ) Medford (MA) Chicago (IL)	USA	Publishing		27 September 2021
Open Molecular Software Foundation	Project Manager	remote	remote	Industrial		14 September 2021
Open Molecular Software Foundation	Software Scientist	remote	remote	Industrial		14 September 2021
Merck	Senior Scientist, Modeling + Informatics	Rahway, NJ	USA	Industrial		10 September 2021
Newcastle University	Postdoctoral Fellow, Cole Group	Newcastle	England	Postdoc		3 September 2021
Dartmouth College	Postdoctoral Fellow, Robustelli group	Hanover	USA	Postdoc		3 September 2021
DE Shaw Research	Software Developers for Drug Discovery	New York, NY	USA	Industrial		3 September 2021
DE Shaw Research	Machine Learning Engineers	New York, NY	USA	Industrial		3 September 2021
Terra Lumina	VP Technology	Berlin	Germany	Industrial		3 September 2021
Terra Lumina	AI/ML Engineer - Knowledge Graph	Berlin	Germany	Industrial		3 September 2021
Terra Lumina	Senior Cheminformatics Engineer - Database Manager	Berlin	Germany	Industrial		3 September 2021
Terra Lumina	Senior Bioinformatician/Cheminformatician - Molecular Descriptor	Berlin	Germany	Industrial		3 September 2021
Merck	Senior Scientist - Computational Protein Design	South San Francisco	USA	Industrial		9 June 2021
Interline Therapeutics (John Chodera founding SAB member)	[1]	South San Francisco / flexible	USA	Industrial		11 June 2021
Mey Group, U Edinburgh	PhD, sponsored by Exscientia	Edinburgh	Scotland	PhD		11 June 2021
Open Free Energy Consortium	Lead/Senior/Junior Software Scientists	flexible	flexible	Academic		10 June 2021
Relay Tx	Machine Learning Scientist	Boston, MA	USA	Industrial		10 June 2021
MSD	Computational Chemistry Placement Year	London	England	Industrial/Placement	25 June 2021	9 June 2021
D. E. Shaw Research	Machine Learning Engineers	New York City, NY	USA	Industrial		9 June 2021
D. E. Shaw Research	Software Developers for Drug Discovery	New York City, NY	USA	Industrial		9 June 2021
Merck	Senior Scientist, Cheminformatics	Boston, MA; Kenilworth, NJ; West Point, PA	USA	Industrial		7 May 2021
VantAI	Computational Chemist	NYC, NY	USA	Industrial		7 May 2021
Merck	Principal Scientist, Computational Chemistry	Kenilworth, NJ	USA	Industrial		14 April 2021
Merck	Senior Scientist, Computational Chemistry	Kenilworth, NJ	USA	Industrial		14 April 2021
D. E. Shaw Research	Machine Learning Engineers	New York City	USA	Industrial	05 June 2021	14 April 2021
D. E. Shaw Research	Software Developers for Drug Discovery	New York City	USA	Industrial	05 June 2021	14 April 2021
Northeastern University	Postdoc - Theoretical & Computational Chemistry	Boston, MA	USA	Postdoc		21 November 2020
Gilead	Senior Research Scientist, Structural Chemistry	San Francisco, CA	USA	Industry		2 December 2020
Chosun University	PhD position	Gwangju	South Korea	PhD		21 November 2020
Merck	Senior Scientist	West Point, PA	USA	Industrial		16 November 2020
Exscientia	2021 Internship	Oxford/Dundee	UK	Internship		15 October 2020
Exscientia	Cheminformatics Research Scientist	Oxford	UK	Industry		15 October 2020
Exscientia	Cheminformatics Research Scientist	Oxford	UK	Industry		15 October 2020
Exscientia	Computational Drug Designer	Oxford	UK	Industry		15 October 2020
Zymergen	Bioinformatics Engineer II	San Francisco, CA	USA	Industry		15 October 2020
Zymergen	Bioinformatics Engineer I/II	San Francisco, CA	USA	Industry		15 October 2020
Zymergen	Bioinformatics Scientist	San Francisco, CA	USA	Industry		15 October 2020
Zymergen	Bioinformatics Scientist	San Francisco, CA	USA	Industry		15 October 2020
UCLA	Faculty Positions, Life Sciences	LA, CA	USA	Faculty	30 November 2020	15 October 2020
University of Newcastle, Cole lab	Research software engineer in computational chemistry	Newcastle	England	Software Engineer	8 November 2020	12 October 2020
University of Southern Denmark, Khandelia lab	Theoretical and computational biophysics	Odense	Denmark	Postdoc	27 October 2020	10 October 2020
University of Rochester, White lab	Postdoc	Cambridge, MA	USA	Postdoc		4 October 2020
MIT	Assistant Professor - Chemical Engineering	Cambridge, MA	USA	Faculty	1 December 2020	4 October 2020
OpenEye Scientific	Cheminformatics Group Leader	Santa Fe, NM	USA	Industrial		1 October 2020
Benevolent AI	Senior Computational Chemist	London	England	Industrial		1 October 2020
University of Groningen	Assistant/Associate Professor Multiscale modeling of supramolecular materials	Groningen	Amsterdam	Faculty	1 October 2020	30 September 2020
University of Groningen	Assistant/Associate Professor Computational Protein (Re)Design	Groningen	Amsterdam	Faculty	1 November 2020	30 September 2020
National Autonomous University of Mexico	Research Fellow	Mexico City	Mexico	Faculty	11 December 2020	30 September 2020
Australian National University, Barnard lab	Research Fellow	Canberra	Australia	Postdoc	10 October 2020	30 September 2020
Lilly	Research Scientist-Computational	Cambridge, MA	USA	Industrial		30 September 2020
OpenEye	Documentation Technical Specialist	Santa Fe, NM	USA	Industrial		25 September 2020
Merck	Modeling & Informatics Internship	Boston, MA; Kenilworth, NJ; Rahway, NJ; West Point, PA; South San Francisco, CA	USA	Internship		21 September 2020
Merck	Structural Sciences Internship	Boston, MA; Kenilworth, NJ; West Point, PA; South San Francisco, CA	USA	Internship		21 September 2020
Merck	Structural Protein Sciences	West Point, PA	USA	Internship		21 September 2020
Auburn University	Assistant Professor - Computational Chemistry	Auburn, AL	USA	Faculty	1 November 2020	21 September 2020
Atomwise Inc.	Senior Data Engineer, Cheminformatics/Bioinformatics	SAN Francisco	USA	Industrial		22 September 2020
OpenEye	Scientific Software Developer (Antibody Modeling)	Santa Fe, NM	USA	Industrial		20 September 2020
OpenEye	Senior Scientific Software Developer (MD Specialist)	Santa Fe, NM	USA	Industrial		13 September 2020
OpenEye	Cloud Operations Engineer	Santa Fe, NM	USA	Industrial		13 September 2020
OpenEye	Backend Developer (Associate, II, and Senior positions open)	Santa Fe, NM	USA	Industrial		13 September 2020
OpenEye	Build Systems Administrator	Santa Fe, NM	USA	Industrial		13 September 2020
OpenEye	Backend Developer (Associate, II, and Senior positions open)	Santa Fe, NM	USA	Industrial		13 September 2020
Texas Tech University	Postdoc, Computational Chemistry	Lubbock, TX	USA	Postdoc		13 September 2020
AbbVie	Senior Scientist II, Molecular Modeler	Lake County, Illinois	USA	Industrial		4 September 2020
PostEra	Chemists, Engineers, Developers	San Francisco	USA	Industrial		30 August 2020
Silicon Tx	Associate Director – Computational Modeling and Design	Cambridge, MA	USA	Industrial		29 August 2020
University of Maryland, Shen lab	Constant pH MD	Maryland	USA	Postdoc		25 August 2020
Ontario Institute for Cancer Research	Computational Chemistry & Chemoinformatics	Toronto	Candada	Postdoc		25 August 2020
Novartis	CADD/Computational Chemist	Cambridge, MA	USA	Industrial		24 August 2020
BioAscent	(Associate) Director Computational Chemistry	Glasgow	Scotland	Industrial		23 August 2020
Sosei Heptares	Senior Computational Chemist	Cambridge	UK	Industrial		23 August 2020
AstraZeneca	Postdoc Fellow	Cambridge	UK	Industrial postdoc		17 August 2020
N8 CIR	RSE Theme Leader	various	UK	Industrial	11 September 2020	17 August 2020
Relay Tx	Research Software Engineer	Cambridge, MA	USA	Industrial		17 August 2020
The Broad Institute	Computational Chemist I	Cambridge, MA	USA	Industrial		10 August 2020
Michigan State University, Feig lab	Research Associate	(remote)	(remote)	Postdoc		24 July 2020
Michigan State University, Dickson lab	Research Associate	East Lansing, MI	USA	Postdoc	17 August 2020	24 July 2020
Oxford University/XChem, Deane lab/von Delft lab	(Senior) Postdoctoral Researcher	Oxford	England	Postdoc	3 August 2020	22 July 2020
Newcastle University, Cole lab	Computational chemistry postdoc	Newcastle	England	Postdoc		11 July 2020
OpenEye Scientific	Assoc. Group Head, Application Sciences & Services Group	Boston, MA	USA	Industrial		8 July 2020
OpenEye Scientific	System Integration Specialist	Santa Fe, NM	USA	Industrial		8 July 2020
Optibrium	Application Support Scientist	Boston (flexible)	USA	Industrial		8 July 2020
Exscientia	Computational Drug Designer	Oxford	England	Industrial		23 June 2020
Moderna	Senior Scientist Computational Chemistry/Cheminformatics	Cambridge	USA	Industrial		22 June 2020
Domainex	Computational Chemist	Cambridge	England	Industrial	31 July 2020	19 June 2020
Lonza	Data Scientist Structural Bioinformatics	Cambridge	England	Industrial		19 June 2020
Yale University, Jorgensen lab	MD/Free-energy postdoc	New Haven	USA	Postdoc		19 June 2020
BioSolveIT	Product Owner CADD Software	Sankt Augustin	Germany	Industrial		18 June 2020
BioSolveIT	Pharmacist or Organic / Medicinal (In Silico) Chemist	Sankt Augustin	Germany	Industrial		18 June 2020
Sygnature Discovery	Senior Computational Chemistry	Nottingham	England	Industrial		15 June 2020
Ghent University	Professor in Computational Biopharmaceutical Design	Gent	Germany	Academic		15 June 2020
Nuvisan	Director Computational Chemistry	Berlin	Germany	Industrial		4 June 2020
Nuvisan	Scientist Computational Molecular Design	Berlin	Germany	Industrial		4 June 2020
Riverlane Research Ltd	Computational Chemistry	Cambridge	UK	Industrial Postdoc		1 June 2020
Leibniz-Institut für Pflanzenbiochemie	Group Leader Computational Chemistry / Chemoinformatics	Halle	Germany	Academic		1 June 2020
Universitat Internacional de Catalunya	Teaching assistant - Computational Biochemistry and Bioinformatics	Barcelona	Spain	Academic		1 June 2020
Universitat Internacional de Catalunya	Postdoc - Biomedicine/Biocomputing/Bioengineering	Barcelona	Spain	Postdoc		1 June 2020

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Closed positions - links may no longer be active

Company	Job Title (click on title to follow external link)	City	Country	Job type	Deadline
Janssen Research & Development	Postdoctoral Fellow, Computational Chemistry	Beerse	Belgium	Industrial Postdoc
Dartmouth College, Robustelli lab	Postdoctoral Research Fellow - Molecular Simulations	Hanover	USA	Postdoc
Eli Lilly	Research Scientist	Madrid	Spain	Industrial
Lilly	Research Scientist - RNA Therapeutics	Cambridge, MA	USA	Industrial
Openeye Scientific	Software Developer - Cheminformatics & Machine Learning	Santa Fe	USA	Industrial
Openeye Scientific	Software Developer - Cheminformatics	Santa Fe	USA	Industrial
Pfizer Inc.	Machine Learning	Cambridge	USA	Industrial Postdoc	1 July 2020
Silicon Therapeutics	Investigator/Senior Investigator – Computational Chemistry	Cambridge	USA	Industrial
Silicon Therapeutics	Investigator - Platform	Cambridge	USA	Industrial
Broad Institute	Computational Chemist I	Cambridge	USA	Industrial
Pfizer Inc.	Machine Learning in Drug Design	Cambridge	USA	Industrial Postdoc	19 June 2020
University of Maryland, Shen lab	Constant pH and free energy simulations postdoc	Maryland	USA	Postdoc
CEITEC, Masaryk University, Vácha lab	Antimicrobial Peptides postdoc	Brno	Czech Republic	Postdoc
Schrödinger, Inc.	Desmond Developer	NYC	USA	Industrial
University of Utah, Swanson group	Multiscale Kinetic Modeling	Utah	USA	Postdoc
University of Utah, Swanson group	Multiscale Modeling of Lipid Droplets	Utah	USA	Postdoc
Novartis Institutes for BioMedical Research	CADD/Computational Chemist	Boston	USA	Industrial
Schrödinger, Inc.	Applications Scientist	Mannheim	Germany	Industrial
Schrödinger, Inc.	Applications Scientist	-	UK	Industrial
Schrödinger, Inc.	Computational Drug Discovery Scientist	Portland	USA	Industrial
Schrödinger, Inc.	Computational Drug Discovery Scientist	NYC	USA	Industrial
Schrödinger, Inc.	Crystal Structure Prediction Scientist	NYC	USA	Industrial
Schrödinger, Inc.	Developer, Force Fields	NYC	USA	Industrial
Schrödinger, Inc.	Drug Discovery Scientist - Computational ADME/TOX Prediction	NYC	USA	Industrial
Schrödinger, Inc.	Drug Metabolism Pharmacokinetics Expert	NYC	USA	Industrial
Schrödinger, Inc.	Energy Storage/Battery Materials Simulation Scientist	NYC	USA	Industrial
Schrödinger, Inc.	Materials Science Applications Scientist	Tokyo	Japan	Industrial
Schrödinger, Inc.	Materials Science Validation Scientist	NYC	USA	Industrial
Schrödinger, Inc.	Protein Structure Prediction and Homology Modeling Scientist	NYC	USA	Industrial
Schrödinger, Inc.	Science and Technology Support Scientist	Mannheim	Germany	Industrial
Schrödinger, Inc.	Science and Technology Support Scientist	Cambridge	USA	Industrial
Schrödinger, Inc.	Scientific Software Developer	NYC	USA	Industrial
Schrödinger, Inc.	Senior Computational Drug Discovery Scientist	NYC	USA	Industrial
Schrödinger, Inc.	Senior Computational Drug Discovery Scientist	Portland	USA	Industrial
Schrödinger, Inc.	Senior Medicinal Chemist	NYC	USA	Industrial
Philipps-University Marburg	Computer-aided tailoring of ligands for GPCRs	Marburg	Germany	Postdoc
Novo Nordisk	Research Scientist in Computational Protein Design	Måløv	Denmark	Industrial
GSK	Deep Learning Intern	Philadelphia, PA	USA	Internship
Max Planck Institute	Gating Mechanisms and Regulation of Ion Permeation in Potassium Channels	Göttingen	Germany	PhD/Postdoc
Max Planck Institute	Alchemical free energy calculations in protein and ligand design	Göttingen	Germany	PhD/Postdoc
Acellera	Research Scientist/Scientific software engineer	Barcelona	Spain	Industrial
Bayer, Chodera lab and Volkamer lab	Postdoctoral fellow	NYC	USA	Industrial postdoc
Bayer, Chodera lab and Volkamer lab	Postdoctoral fellow	Berlin	Germany	Industrial postdoc
Open Force Field Initiative	Open Force Field Initiative Postdoc	several	USA	Postdoc
MDAnalysis	Google summer of code	n/a	n/a	Internship
Novartis Institutes for BioMedical Research	Cheminformatics Expert	Boston	USA	Industrial
University of Southampton, Day lab	Crystal structure prediction	Southampton	England	PhD
University of Windsor, Trant lab	Computational postdoctoral fellowship	Ontario	Canada	Postdoc
ProteinQure	Machine Learning Scientist	Toronto	Canada	Industrial
Temple University / ThirdLaw Technologies LLC.	Computational Chemistry	Philadelphia, PA	USA	Postdoc
C4X Discovery	Senior Computational Chemist	Manchester	UK	Industrial
Ruhr University Bochum	MD simulation of ABC transporters	Bochum	Germany	Postdoc
Universitat Rovira I Virgili	Computational Catalysis	Tarragona	Spain	Postdoc		Fordham University, Schrier lab	Postdoctoral Research Fellowship	Bronx, New York	USA	Postdoc	6 March 2020
Sosei Heptares	Computational Chemist/Chemoinformatician	Cambridge	England	Industrial	22 March 2020
University of Surrey	Computational Design of Sustainable 2D Catalysts	Surrey	UK	PhD	27 March 2020
University of Bristol	Senior Lecturer / Associate Professor	Bristol	England	Postdoc	1 April 2020
BASF	Postdoc: Machine learning for chemistry	Ludwigshafen	Germany	Industrial postdoc
Simulations Plus, Inc	Postdoctoral Position	Lancaster, CA	USA	Postdoc
Dassault Systemes	Computational Chemist	Leverkusen	Germany	Industrial
University of Oxford, Deane lab	Postdoctoral Researcher	Oxford	England	Postdoc
Rutgers University	Postdoc – Multiscale Biomolecular Simulation Development Scientist	New Brunswick, NJ	USA	Postdoc
Relay Therapeutics	Computational Internship	Boston	USA	Internship
University of Oxford, Deane lab	Senior Postdoctoral Researcher in XChem	Oxford	England	Postdoc	15 April 2020
Universitat Autònoma de Barcelona	Computational chemistry and structural bioinformatics	Barcelona	Spain	Postdoc	25 April 2020
Genentech	Intern - Computational Chemistry	San Francisco, CA	USA	Internship
Vertex	Senior Research Scientist, Computational Chemistry	San Diego, CA	USA	Industrial
Benevolent AI	Computational Chemist Intern	London	England	Internship	24 March 2020
Schrödinger, Inc.	Strategic Deployment Manager (Europe)	Paris	France	Industrial
The Technische Universität Braunschweig	Computational Materials Design for Chemical Energy Conversion	Braunschweig	Germany	Academic	30 April 2020
Relay Therapeutics	Computational Chemist	Boston	USA	Industrial
Relay Therapeutics	Machine Learning Specialist	Boston	USA	Industrial