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:
- ☆34Updated 3 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆60Updated 4 months ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆47Updated 2 years ago
- ☆48Updated 2 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆72Updated this week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆35Updated last month
- ☆23Updated last year
- ☆36Updated 3 months ago
- DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping☆32Updated last year
- ☆32Updated 2 weeks ago
- ☆78Updated last year
- ☆44Updated last year
- ☆43Updated 3 weeks ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆33Updated 9 months ago
- Diffusion-based molecule conformer generation☆41Updated last year
- ☆56Updated 2 years ago
- ☆28Updated this week
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆65Updated 3 months ago
- ☆32Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ☆25Updated 2 years ago
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆26Updated 3 months ago
- ☆36Updated last month
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆66Updated 4 months ago
- ☆17Updated 2 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆32Updated last year
- ☆11Updated 9 months ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆42Updated 8 months ago
- ☆35Updated last year