m-mokaya / RIOP
☆17Updated last year
Alternatives and similar repositories for RIOP:
Users that are interested in RIOP are comparing it to the libraries listed below
- Implementation of MolSearch paper☆22Updated last year
- The implementation of Modof for Molecule Optimization☆27Updated last year
- ☆30Updated 2 years ago
- maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.☆32Updated 11 months ago
- Molecular SMILE generation with recurrent neural networks☆19Updated 6 months ago
- ☆37Updated 4 years ago
- ☆22Updated 2 years ago
- source code for deppHop☆33Updated 2 years ago
- ☆19Updated last year
- ☆15Updated 2 years ago
- ☆25Updated last year
- ☆24Updated 2 years ago
- ☆69Updated 2 years ago
- ☆29Updated 2 months ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆46Updated 2 years ago
- Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design☆20Updated last year
- ☆26Updated last year
- ☆16Updated 2 months ago
- ☆16Updated 2 years ago
- Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)☆29Updated 4 months ago
- ☆48Updated 2 years ago
- COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses☆18Updated last year
- ☆25Updated 8 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆23Updated last year
- ☆56Updated 11 months ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆40Updated 7 months ago
- ☆22Updated last year
- ☆28Updated last year
- ☆28Updated 2 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆31Updated 2 years ago