smiles724 / MROT
☆12Updated last year
Related projects ⓘ
Alternatives and complementary repositories for MROT
- ☆23Updated 5 months ago
- ☆11Updated 2 years ago
- Source code accompanying the 'MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning' paper☆23Updated last year
- ☆18Updated 4 months ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆12Updated this week
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆11Updated last year
- ☆13Updated last year
- ☆10Updated 2 years ago
- ☆24Updated 7 months ago
- ☆26Updated last year
- ☆17Updated 2 years ago
- ☆15Updated last year
- ☆13Updated 3 years ago
- ☆26Updated 4 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆17Updated 3 weeks ago
- ☆18Updated last year
- ☆18Updated 3 years ago
- ☆18Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆22Updated 9 months ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆29Updated 3 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated last year
- ☆12Updated 4 years ago
- ☆16Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 11 months ago
- ☆25Updated 4 years ago
- DeepCDA☆12Updated 4 years ago
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆8Updated last year
- ☆22Updated this week
- Official implementation for ActFound: A bioactivity foundation model using pairwise meta-learning☆34Updated 2 weeks ago
- Python API for Pharmer☆11Updated 5 years ago