clinfo / SBMolGenLinks
☆42Updated 3 years ago
Alternatives and similar repositories for SBMolGen
Users that are interested in SBMolGen are comparing it to the libraries listed below
Sorting:
- ☆58Updated 2 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- 3D ligand-based pharmacophore modeling☆50Updated 5 months ago
- ☆55Updated last year
- ☆19Updated 3 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Updated 3 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆25Updated 5 years ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆27Updated 3 months ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- ☆47Updated 5 years ago
- Open-source tool for synthons-based library design.☆82Updated 9 months ago
- ☆30Updated last year
- ☆76Updated 2 years ago
- ☆17Updated 2 years ago
- ☆32Updated 3 years ago
- ☆58Updated last year
- ☆40Updated 6 months ago
- ☆96Updated 7 months ago
- ☆27Updated 2 years ago
- Conformer multi-instance machine Learning☆59Updated last week
- The graph-convolutional neural network for pka prediction☆88Updated last year
- ☆14Updated 3 years ago
- a tool for protein-ligand binding affinity prediction☆37Updated 2 years ago
- Kinase-focused fragment library☆66Updated last week
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆22Updated last year
- ☆32Updated 2 years ago