fanganpai / fp2bertLinks
☆10Updated 3 years ago
Alternatives and similar repositories for fp2bert
Users that are interested in fp2bert are comparing it to the libraries listed below
Sorting:
- ☆12Updated 3 years ago
- Kinome-wide structural pocket similarity☆10Updated 2 years ago
- Python API for Pharmer☆12Updated 6 years ago
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆20Updated 2 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆19Updated 2 years ago
- ☆16Updated last year
- ☆26Updated 2 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆29Updated last year
- ☆11Updated 2 years ago
- ☆20Updated 8 months ago
- Structure-based drug design based on Retrieval Augmented Generation☆18Updated 11 months ago
- ☆12Updated 4 years ago