divnori / Protac-DesignLinks
UROP Project @ Coley Group
☆27Updated 2 years ago
Alternatives and similar repositories for Protac-Design
Users that are interested in Protac-Design are comparing it to the libraries listed below
Sorting:
- ☆17Updated 3 years ago
- ☆62Updated 2 years ago
- ☆56Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Updated last year
- ☆17Updated 2 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Updated 5 years ago
- ☆22Updated 2 years ago
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆65Updated last year
- Code for memory-assisted reinforcement learning☆23Updated 5 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆65Updated 2 months ago
- ☆17Updated 3 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Updated 3 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆68Updated 2 years ago
- ☆27Updated last year
- ☆26Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- ☆29Updated 2 years ago
- Examples of MolScore implementations☆11Updated last year
- 3D ligand-based pharmacophore modeling☆52Updated 8 months ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated 2 years ago
- ☆61Updated 2 years ago
- MGA☆44Updated 5 years ago
- ☆33Updated 3 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- Augmented Memory and Beam Enumeration implementation☆25Updated last year
- ☆25Updated 6 years ago
- ☆40Updated 2 years ago
- ☆42Updated 3 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆23Updated last year
- ☆41Updated 9 months ago