stemylonas / DeepSurfLinks
A surface-based deep learning approach for the prediction of ligand binding sites on proteins
☆43Updated 2 years ago
Alternatives and similar repositories for DeepSurf
Users that are interested in DeepSurf are comparing it to the libraries listed below
Sorting:
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- DLPacker☆32Updated last year
- Code for ApoDock☆21Updated 9 months ago
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 3 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- Physical energy function for protein sequence design☆35Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- ☆27Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 9 months ago
- development repository for PyInteraph2☆22Updated 9 months ago
- Predicting protein-ligand binding sites using deep convolutional neural network☆50Updated last year
- Some scripts that I keep using over and over.☆21Updated 6 months ago
- ☆38Updated 5 years ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated last month
- ☆38Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆27Updated 4 years ago
- ☆21Updated 2 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 7 months ago
- ☆32Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated last month
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆32Updated last week
- ☆37Updated 2 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆72Updated 10 months ago
- Docking Tool Benchmarking Workflow☆24Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆55Updated 6 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 4 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated last month