rxn4chemistry / biocatalysis-modelLinks
RXN for biochemical reactions
☆69Updated 2 years ago
Alternatives and similar repositories for biocatalysis-model
Users that are interested in biocatalysis-model are comparing it to the libraries listed below
Sorting:
- Reaction SMILES-AA mapping via language modelling☆29Updated 10 months ago
- ☆90Updated 2 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆66Updated 4 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated 11 months ago
- Useful functions for working with small molecules☆53Updated 6 months ago
- Biosynthesis Navigator for Natural Products☆48Updated 3 years ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆35Updated 4 years ago
- Peptide optimization with Machine Learning☆75Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- ☆108Updated 2 years ago
- Official repository of EnzymeFlow☆91Updated 7 months ago
- ☆38Updated 4 years ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆45Updated 6 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆26Updated last year
- pythonic interface to virtual screening software☆88Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆131Updated last week
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆66Updated 3 months ago
- A collection of tasks to probe the effectiveness of protein sequence representations in modeling aspects of protein design☆101Updated 9 months ago
- ☆15Updated 7 months ago
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆102Updated 8 months ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆49Updated last year
- Structure prediction of alternative protein conformations☆76Updated 4 months ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated last year
- The MinHashed Atom Pair fingerprint of radius 2☆115Updated 2 years ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆73Updated 10 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆42Updated 2 years ago
- ☆32Updated 2 weeks ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Machine Learning Designs Non-Hemolytic Antimicrobial Peptides☆35Updated 4 years ago
- ☆74Updated 2 years ago