choderalab / ensemblerLinks
Automated omics-scale protein modeling and simulation setup.
☆53Updated 3 years ago
Alternatives and similar repositories for ensembler
Users that are interested in ensembler are comparing it to the libraries listed below
Sorting:
- Pymol ScrIpt COllection (PSICO)☆60Updated last month
- Use UCSF Chimera Python API in a standard interpreter☆58Updated 6 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆64Updated 5 years ago
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- Control PyMOL sessions via IPython☆61Updated 2 years ago
- The python implementation of the MMTF API, decoder and encoder.☆46Updated 3 years ago
- Dynamics PyMOL Plugin☆44Updated last year
- analyse PDB files, run molecular-dynamics & analyse trajectories☆61Updated 7 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 4 years ago
- Visualization tool for changing networks☆19Updated 7 years ago
- A simple Python library to generate model peptides☆87Updated 4 years ago
- Membrane protein builder and parameterizer☆19Updated 11 months ago
- Structure-informed machine learning for kinase modeling☆56Updated this week
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- A framework for rapidly mining structural information from the Protein Data Bank☆53Updated 5 years ago
- Open Source Protein REdesign for You v3☆52Updated last month
- An open set of tools for automating tasks relating to small molecules☆67Updated 3 years ago
- CheTo - Chemical Topic Modeling☆32Updated 4 years ago
- Contact map analysis for biomolecules; based on MDTraj☆45Updated 7 months ago
- ☆30Updated 2 months ago
- ☆45Updated 3 months ago
- MMTSB Tool Set☆31Updated 2 months ago
- Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)☆14Updated 8 years ago
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆106Updated last year
- Conda build recipe for the rdkit☆50Updated 3 years ago
- open toolbox for structural comparison☆13Updated 6 years ago
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆15Updated 7 years ago
- Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling☆33Updated last month
- Normal Mode Analysis for Macromolecules☆18Updated 8 years ago