eyalmazuz / MolGen
☆22Updated 2 weeks ago
Alternatives and similar repositories for MolGen:
Users that are interested in MolGen are comparing it to the libraries listed below
- ☆18Updated last month
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆49Updated 3 weeks ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆56Updated 9 months ago
- ☆57Updated last year
- MCMG_V1☆71Updated 2 years ago
- graph generative model for molecule☆39Updated 5 years ago
- 3D_Molecular_Generation☆85Updated 4 months ago
- ☆55Updated last year
- ☆56Updated 2 years ago
- ☆31Updated last year
- Offical repository for the paper "Llamol: a dynamic multi-conditional generative transformer for de novo molecular design" (https://doi.o…☆26Updated 9 months ago
- Retrosynthetic prediction with Atom Environments☆37Updated last year
- Code for memory-assisted reinforcement learning☆22Updated 4 years ago
- ☆41Updated 2 months ago
- Reimplementation of Segler et al's Template Relevance Network (NeuralSym) in their seminal Nature publication☆32Updated 2 years ago
- ☆21Updated 8 months ago
- ☆32Updated 10 months ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆62Updated 3 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated 9 months ago
- ☆24Updated 2 years ago
- ☆56Updated last year
- A Deep-learning Driven Predictor of Compound Synthesis Accessibility☆27Updated 3 months ago
- ☆38Updated last year
- All the handy little scripts for cheminformatics related projects☆34Updated 2 years ago
- ☆26Updated 11 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆38Updated this week
- A ligand-and-structure dual-driven deep reinforcement learning method for target-specific molecular generation☆36Updated last year
- Home of the PaRoutes framework for benchmarking multi-step retrosynthesis predictions.☆73Updated 7 months ago
- ☆15Updated 2 years ago