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:
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- Pymol ScrIpt COllection (PSICO)☆60Updated 3 weeks ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆64Updated 5 years ago
- Dynamics PyMOL Plugin☆44Updated last year
- ☆30Updated 2 months ago
- Structure-informed machine learning for kinase modeling☆56Updated this week
- Control PyMOL sessions via IPython☆61Updated 2 years ago
- Use UCSF Chimera Python API in a standard interpreter☆58Updated 6 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 4 years ago
- The python implementation of the MMTF API, decoder and encoder.☆46Updated 3 years ago
- An open set of tools for automating tasks relating to small molecules☆67Updated 3 years ago
- pdbx is a parser module in python for structures of the protein data bank in the mmcif format☆27Updated 11 months ago
- CheTo - Chemical Topic Modeling☆32Updated 4 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- ☆45Updated 2 months ago
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆15Updated 6 years ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated last week
- A simple Python library to generate model peptides☆87Updated 4 years ago
- ☆123Updated 8 years ago
- Conda build recipe for the rdkit☆50Updated 3 years ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆17Updated 9 years ago
- Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)☆14Updated 7 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆41Updated 2 weeks ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Updated 5 years ago
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆35Updated last week
- Web cards/apps describing peptides☆29Updated 2 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated last year
- Contact map analysis for biomolecules; based on MDTraj☆45Updated 6 months ago