UnixJunkie / EDTSurfLinks
mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/
☆10Updated 2 years ago
Alternatives and similar repositories for EDTSurf
Users that are interested in EDTSurf are comparing it to the libraries listed below
Sorting:
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- Demos of many Rosetta applications☆21Updated 7 months ago
- MD DaVis: A python package to analyze molecular dynamics trajectories of proteins☆17Updated 11 months ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- MEGADOCK on Google Colaboratory☆20Updated 2 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated this week
- ☆15Updated 5 months ago
- Repository of all EJP lab computational projects☆15Updated 2 months ago
- Python interface for the RCSB search API.☆20Updated last year
- Robust and stable clustering of molecular dynamics simulation trajectories.☆19Updated 3 years ago
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆17Updated last year
- Drug-Likeness☆16Updated 3 years ago
- ☆27Updated 4 years ago
- ☆21Updated 8 months ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Updated 5 years ago
- ☆11Updated 5 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Updated 6 years ago
- ☆18Updated last year
- Paper for release☆11Updated 4 years ago
- some tools for working with protein (PDB) files in tensorflow☆11Updated 6 years ago
- Kinome-wide structural pocket similarity☆10Updated 3 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Updated last month
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 5 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Updated 3 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Updated 10 months ago
- Some scripts that I keep using over and over.☆21Updated 7 months ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 10 months ago
- Protein-protein binding affinity benchmark☆16Updated 11 months ago