hnlab / BindingNetLinks
☆25Updated last year
Alternatives and similar repositories for BindingNet
Users that are interested in BindingNet are comparing it to the libraries listed below
Sorting:
- ☆17Updated 2 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆29Updated last month
- ☆16Updated 3 years ago
- ☆56Updated last year
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆13Updated last year
- ☆26Updated 2 years ago
- ☆48Updated 2 months ago
- ☆20Updated 2 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆26Updated 3 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆31Updated 4 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆45Updated 2 years ago
- A toolkit developed to predict and analyze PROTAC-mediated ternary complexes using AlphaFold3 and Boltz-1.☆23Updated last week
- ☆36Updated 3 months ago
- ☆26Updated 2 years ago
- ☆25Updated 2 years ago
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆44Updated 3 years ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆42Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 9 months ago
- ☆35Updated last year
- ☆40Updated 2 years ago
- Lightweight induced fit docking☆21Updated 2 years ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆25Updated 2 months ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- ☆12Updated 3 years ago
- Implementation of the Paper "iScore: A ML-Based Scoring Function for de novo Drug Discovery" by S.J. Mahdizadeh, and L.A. Eriksson (https…☆16Updated last year
- ☆16Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆48Updated 2 months ago