Publisher
source

Leibniz-Institut für Pflanzenbiochemie

Just Landed

PhD in Machine Learning for Enzyme Design Leibniz Institute of Plant Biochemistry in Germany

Degree Level

PhD

Field of study

Computer Science

Funding

Available

Country flag

Country

Germany

University

Leibniz-Institut für Pflanzenbiochemie

Apply for this position

Keywords

Computer Science
Chemistry
Deep Learning
Biology
Computational Chemistry
Molecular Modeling
Data Mining
Protein Engineering
Enzyme Engineering
Generative Modeling
Chemoinformatics
Bioinformatic
ML

Suggested positions

Publisher
source

University of Basel

Country flag

Switzerland

Postdoctoral Position in AI-Driven Drug Design at the University of Basel (Computational Pharmacy group). This fully funded postdoctoral role sits at the interface of artificial intelligence , machine learning , deep learning , cheminformatics , computational chemistry , and drug discovery . The project is part of an international Innosuisse collaboration focused on AI-driven closed-loop drug discovery and iterative Design–Make–Test–Analyze (DMTA) cycles. The successful candidate will develop an...

Computer Science
Chemistry
Biomedical Engineering
+8 more

1 month ago

Publisher
source

Pora Kim

The University of Texas Health Science Center at Houston

Country flag

United States

Pora Kim, Assistant Professor at The University of Texas Health Science Center at Houston (UTHealth), is looking for a prospective PhD student to join research at the intersection of AI/ML , computational biology , and computational drug discovery . The project focus is on challenging biomedical problems and is especially suited to candidates with strong hands-on experience in machine learning/deep learning and practical computational drug discovery skills such as molecular modeling , protein st...

Computer Science
Chemistry
Deep Learning
+7 more

1 month ago

Publisher
source

Baylor College of Medicine

Country flag

United States

Postdoctoral Associate opening in cheminformatics at Baylor College of Medicine in Houston, Texas, United States . The position is in the Zhi Tan laboratory and focuses on interdisciplinary research combining deep learning , computational chemistry , medicinal chemistry , chemical biology , and molecular cell biology to develop novel therapeutics for complex diseases, including cancers. The ideal candidate has a proven track record in developing open-source machine learning , deep learning , or ...

Computer Science
Chemistry
Biomedical Engineering
+11 more

2 weeks ago

Publisher
source

Sebastian Kmiecik

University of Warsaw

Country flag

Poland

The Faculty of Chemistry at the University of Warsaw is recruiting for an NCN-funded postdoctoral position in the project CABS-flex RNA: AI-Assisted Multiscale Modeling of RNA Structural Ensembles (grant UMO-2025/59/B/ST6/01643), led by Prof. Sebastian Kmiecik. This is a full-time, temporary research appointment in the Laboratory of Computational Biology, with two positions available. The project focuses on RNA structural ensembles, combining automated long-timescale biomolecular simulations wit...

Computer Science
Chemistry
Biology
+6 more

2 weeks ago

Publisher
source

Mathias Niepert

University of Stuttgart

Country flag

Germany

PhD openings are available at the Machine Learning and Simulation Lab (MLS) at the University of Stuttgart with Mathias Niepert . The lab works on machine learning for science and engineering, including generative AI for chemistry , learning to simulate physical systems , and controllable generative models for applications such as image and protein structure generation. Research themes highlighted in the post include building physical and geometric structure into learning systems, improving gene...

Computer Science
Chemistry
Materials Science
+7 more

1 month ago

About this position

At the Leibniz Institute of Plant Biochemistry (IPB) in Halle (Saale), Germany, a fully funded PhD position is available in the Department of Bioorganic Chemistry on Machine Learning for Enzyme Design. The project sits within the DFG Priority Programme SPP2363, Molecular Machine Learning, and is hosted by the Computational Chemistry group led by Dr. Mehdi D. Davari.

The PhD project is aimed at students interested in the interface of machine learning, computational chemistry, bioinformatics, cheminformatics, and enzyme engineering. The successful candidate will develop innovative machine learning architectures for the mining, prediction, and design of enzymes, using modern approaches such as deep learning and generative models alongside computational biochemistry tools. The work is interdisciplinary and collaborative, with close interaction with an experimental enzymology PhD student for laboratory validation of model predictions.

IPB is an internationally recognized non-university research institute on the Weinberg Campus in Halle, with strong expertise in plant biochemistry, chemical biology, and molecular networks. The institute emphasizes a highly international, supportive, and diverse research environment and provides access to advanced facilities in biotechnology, structural biology, proteomics, metabolomics, and related areas. The position is part-time (65%), paid according to TV-L E13, and limited to 3 years.

Applicants should hold a Master’s or Diploma degree in Bioinformatics, Computational (Bio)Chemistry, Cheminformatics, Computational Biophysics, or a closely related field. Strong programming skills, familiarity with machine learning frameworks such as PyTorch or TensorFlow, very good English, and an independent, solution-oriented, team-oriented working style are required. Experience in cheminformatics, molecular modeling, enzyme mechanisms, databases, data mining, or knowledge management is considered desirable. The institute also highlights equal opportunity, diversity, family friendliness, and welcomes applications from disabled persons or applicants with equivalent status.

Applications are reviewed immediately and accepted until the position is filled. To apply, submit a single PDF by email to the institute’s recruitment address, including a cover letter, CV, transcripts, and referee details or recommendation letters. Informal questions can be directed to Dr. Mehdi D. Davari.

Funding details

Available

What's required

Master’s or Diploma degree in Bioinformatics, Computational (Bio)Chemistry, Cheminformatics, Computational Biophysics, or a closely related field; strong programming skills in Python and/or C/C++; knowledge of machine learning frameworks such as PyTorch or TensorFlow; very good English language skills; independent and solution-oriented working style; interdisciplinary mindset and enthusiasm for teamwork; ability to work in a multi-cultural, multi-ethnic environment with sensitivity and respect for diversity. Desirable experience includes cheminformatics, molecular modeling, enzyme mechanisms, databases, data mining, and knowledge management. Foreign qualifications must meet German standards and be certified/equivalence-tested in Germany.

How to apply

Email a single PDF application to [email protected] with the subject line 'PhD ML Enzyme Design – Ref No. 11/2025'. Include a cover letter, CV with publication list if applicable, academic transcripts, and contact details of two academic referees or two recommendation letters. Applications are reviewed immediately and accepted until the position is filled.

ApplyKite TwinLearns as you apply

Make your next move.

Prepare your application

Review drafts and confirm requirements with the university.