deep-scaffold / deep_scaffoldLinks
☆25Updated 6 years ago
Alternatives and similar repositories for deep_scaffold
Users that are interested in deep_scaffold are comparing it to the libraries listed below
Sorting:
- ☆28Updated 2 years ago
- ☆22Updated 2 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Updated 5 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Updated 3 years ago
- ☆56Updated last year
- 3D ligand-based pharmacophore modeling☆52Updated 8 months ago
- ☆17Updated 3 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆29Updated 2 years ago
- ☆42Updated 3 years ago
- ☆11Updated 4 years ago
- ☆38Updated 5 years ago
- ☆47Updated 5 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated 2 years ago
- ☆26Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- ☆26Updated 3 years ago
- ☆63Updated 2 years ago
- ☆17Updated 2 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆31Updated 7 months ago
- ☆53Updated 8 months ago
- FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …☆38Updated 4 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- Small molecules discovery with different active deep learning strategies. Codebase for the paper: "Traversing chemical space with active …☆28Updated last year
- ☆41Updated 5 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 7 years ago
- ☆31Updated last year
- ☆25Updated 3 years ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 3 years ago