meyresearch / SILVRLinks
☆38Updated last year
Alternatives and similar repositories for SILVR
Users that are interested in SILVR are comparing it to the libraries listed below
Sorting:
- ☆52Updated 7 months ago
- ☆39Updated 8 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆83Updated last week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆45Updated 6 months ago
- ☆26Updated 3 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆65Updated last month
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆28Updated 8 months ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- ☆13Updated last year
- ☆22Updated 2 years ago
- ☆55Updated last week
- ☆41Updated 8 months ago
- ☆31Updated 3 months ago
- ☆24Updated last week
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆28Updated 8 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆35Updated last month
- ☆17Updated 3 years ago
- ☆56Updated last year
- ☆25Updated last year
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆17Updated 2 years ago
- ☆38Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆32Updated 2 years ago
- ☆68Updated 11 months ago
- CREMP: Conformer-Rotamer Ensembles of Macrocyclic Peptides for Machine Learning☆20Updated last year
- Fragment-based Molecular Expansion☆25Updated last year
- ☆54Updated 8 months ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆20Updated 11 months ago
- ☆59Updated 2 years ago