gersteinlab / STRESSLinks
☆8Updated 6 years ago
Alternatives and similar repositories for STRESS
Users that are interested in STRESS are comparing it to the libraries listed below
Sorting:
- Ligand binding site prediction and virtual screening☆12Updated 6 years ago
- ☆15Updated 7 years ago
- ☆9Updated 2 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 9 months ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated last year
- PCA and normal mode analysis of proteins☆17Updated last year
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- ☆10Updated 6 years ago
- ☆15Updated 3 months ago
- Web cards/apps describing peptides☆29Updated 2 years ago
- Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing☆23Updated 3 years ago
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆20Updated 6 years ago
- protein docking using a density-based descriptor for atoms charge and dynamics☆14Updated 2 years ago
- development repository for PyInteraph2☆22Updated 3 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- Paper for release☆11Updated 3 years ago
- Models trained on the SPICE dataset☆10Updated 2 years ago
- Robust and stable clustering of molecular dynamics simulation trajectories.☆18Updated 2 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 4 years ago
- ☆14Updated 3 years ago
- ☆30Updated 2 months ago
- Flexible Artificial Intelligence Docking☆17Updated last week
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- ☆19Updated last year
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago