pfizer-opensource / transform-molecules
☆16Updated 2 years ago
Alternatives and similar repositories for transform-molecules
Users that are interested in transform-molecules are comparing it to the libraries listed below
Sorting:
- ☆26Updated 2 years ago
- ☆16Updated 2 years ago
- ☆20Updated 2 years ago
- ☆25Updated 10 months ago
- ☆22Updated 8 months ago
- ☆24Updated 4 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- ☆33Updated last month
- ☆14Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆15Updated last year
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆25Updated 3 weeks ago
- ☆11Updated 11 months ago
- ☆32Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year
- ☆13Updated 3 years ago
- ☆9Updated last year
- ☆22Updated last year
- ☆26Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated this week
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆18Updated last week
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆17Updated 6 months ago
- Official github for "Drug-likeness scoring based on unsupervised learning" (Chemical Science)☆19Updated 3 weeks ago
- ☆24Updated 2 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆20Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 months ago
- ☆17Updated 2 years ago
- ☆14Updated last year
- ☆17Updated 9 months ago
- ☆28Updated 2 years ago