smiles724 / MROTLinks
☆12Updated 2 weeks ago
Alternatives and similar repositories for MROT
Users that are interested in MROT are comparing it to the libraries listed below
Sorting:
- ☆15Updated 3 years ago
- ☆14Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- Structure-based drug design based on Retrieval Augmented Generation☆17Updated 8 months ago
- ☆23Updated 10 months ago
- ☆34Updated last year
- ☆26Updated 2 years ago
- ☆20Updated 2 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆16Updated 3 weeks ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆12Updated last year
- ☆17Updated 2 years ago
- ☆19Updated 2 weeks ago
- Toolkit for synthesis planning☆16Updated 3 weeks ago
- ☆14Updated last year
- ☆13Updated 3 years ago
- ☆25Updated 11 months ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆19Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆9Updated 2 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆29Updated 2 years ago
- ☆14Updated 8 months ago
- Python API for Pharmer☆12Updated 6 years ago
- ☆16Updated 2 years ago
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Updated last year
- ☆11Updated 11 months ago
- ☆12Updated 3 years ago
- ☆15Updated 3 years ago
- ☆12Updated last year
- ☆27Updated last year
- ☆17Updated 2 years ago