KeleiHe / LigPose
Coming Soon...
☆10Updated 3 years ago
Alternatives and similar repositories for LigPose
Users that are interested in LigPose are comparing it to the libraries listed below
Sorting:
- ☆12Updated 3 years ago
- ☆20Updated 2 years ago
- ☆26Updated 2 years ago
- ☆22Updated last year
- Deep Binding Structure RMSD Prediction☆22Updated 4 years ago
- ☆25Updated 10 months ago
- ☆16Updated 2 years ago
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆18Updated last week
- ☆15Updated 3 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆15Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated last month
- ☆54Updated last year
- Alchemical mutation scoring map☆9Updated last year
- ☆33Updated last month
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆19Updated 2 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆25Updated last month
- ☆24Updated 2 years ago
- ☆13Updated 3 years ago
- ☆16Updated 4 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆25Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆26Updated 3 years ago
- ☆16Updated 10 months ago
- ☆28Updated 2 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated 10 months ago
- Smash molecule and obtain significant fragments☆18Updated 3 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- ☆14Updated 2 years ago
- ☆25Updated 5 years ago
- ☆17Updated 9 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year