m2d2-labs / awesome-ml-for-biochemistry
Community-curated resources for research at the intersection of AI and molecular sciences
☆18Updated 7 months ago
Alternatives and similar repositories for awesome-ml-for-biochemistry:
Users that are interested in awesome-ml-for-biochemistry are comparing it to the libraries listed below
- A curated list of awesome self-learning materials in Computational Structural Biology, such as sources, tutorials, etc.☆41Updated 2 years ago
- A curated list of resources for machine learning for small-molecule drug discovery☆215Updated last year
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆160Updated last year
- Python for chemoinformatics☆110Updated 4 years ago
- ☆41Updated 9 months ago
- Collection of useful bioinformatic functions and tools for various computational biology pipelines☆22Updated 3 weeks ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆177Updated 3 years ago
- Peptide optimization with Machine Learning☆72Updated 2 years ago
- A foundational package for molecular predictive modelling☆92Updated 5 months ago
- Molecular filtering for drug discovery.☆54Updated 2 months ago
- Foster the development of impactful AI models in drug discovery.☆119Updated this week
- FAPLM: A Drop-in Efficient Pytorch Implementation of Protein Language Models☆114Updated last month
- Directed evolution of proteins in sequence space with gradients☆83Updated 7 months ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆89Updated 3 months ago
- ☆21Updated last month
- Make a bunch of molecules☆95Updated 4 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆109Updated 4 months ago
- Graph neural network for generating novel amino acid sequences that fold into proteins with predetermined topologies.☆59Updated 4 years ago
- A Python library for structural cheminformatics☆95Updated 2 weeks ago
- The MinHashed Atom Pair fingerprint of radius 2☆112Updated last year
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆113Updated 3 months ago
- Structural Bioinformatics is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your co…☆70Updated last year
- Top open source software from the top 50 pharmaceutical companies☆59Updated 9 months ago
- Sandbox for Deep-Learning based Computational Protein Design☆109Updated last month
- Calculation of interatomic interactions in molecular structures☆73Updated 3 years ago
- Learning with uncertainty for biological discovery and design☆34Updated 2 years ago
- Protein structure datasets for machine learning.☆106Updated 8 months ago
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆151Updated 2 weeks ago
- Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation☆89Updated this week
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆29Updated 10 months ago