YoshidomeGroup-Hydration / gr-predictorLinks
☆15Updated last month
Alternatives and similar repositories for gr-predictor
Users that are interested in gr-predictor are comparing it to the libraries listed below
Sorting:
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated last year
- Robust and stable clustering of molecular dynamics simulation trajectories.☆18Updated 3 years ago
- Python library to run structure based model (SBM) simulations using the OpenMM toolkit☆23Updated 3 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 3 years ago
- ☆14Updated 3 years ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆14Updated 3 weeks ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Updated last year
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Updated 3 years ago
- Multiscale Simulation Tool for Backmapping☆19Updated 3 weeks ago
- Cloud-based Drug Binding Structure Prediction☆38Updated 6 months ago
- development repository for PyInteraph2☆23Updated 6 months ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated last week
- MDverse web scrapper 🔎🔧📄☆15Updated 6 months ago
- Weighted Ensemble Data Analysis and Plotting☆24Updated 3 months ago
- ☆16Updated 2 months ago
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆16Updated 7 months ago
- Tools to build coarse grained models and perform simulations with OpenMM☆24Updated 2 years ago
- PCA and normal mode analysis of proteins☆18Updated last year
- Models trained on the SPICE dataset☆10Updated 3 years ago
- ☆13Updated 4 years ago
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆17Updated 2 weeks ago
- This repo contains the collection of codes to find designer interfacial mutations☆17Updated 2 years ago
- Pras Server is a library to repair PDB or mmCIF structures, add missing heavy atoms and hydrogen atoms and assign secondary structure by …☆28Updated last month
- ☆15Updated 7 years ago
- example demonstrating a free energy estimation starting from OFF and OpenMM☆12Updated 4 years ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆15Updated last year
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- Code for ApoDock☆20Updated 6 months ago
- ☆18Updated 3 years ago
- ☆18Updated last year