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:
- ☆51Updated 4 months ago
- ☆25Updated 2 years ago
- Diffusion-based molecule conformer generation☆41Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆40Updated 3 months ago
- ☆35Updated 5 months ago
- ☆23Updated last year
- ☆49Updated 2 months ago
- ☆39Updated 5 months ago
- ☆55Updated last year
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆61Updated this week
- ☆37Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆77Updated 2 weeks ago
- ☆32Updated 2 years ago
- ☆17Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆66Updated 9 months ago
- Fragment-based Molecular Expansion☆20Updated last year
- ☆30Updated 3 weeks ago
- ☆52Updated 2 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆27Updated 5 months ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆26Updated 2 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆20Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- ☆56Updated 2 years ago
- ☆12Updated 11 months ago
- ☆20Updated 2 years ago
- ☆25Updated 3 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- ☆36Updated 2 months ago
- ☆25Updated last year