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 high level cheminformatics package for the Scientific Python stack, built on RDKit.☆65Updated 5 years ago
- Pymol ScrIpt COllection (PSICO)☆60Updated 2 weeks ago
- Dynamics PyMOL Plugin☆45Updated last year
- A primer on statistical mechanics for biochemists☆47Updated 2 years ago
- analyse PDB files, run molecular-dynamics & analyse trajectories☆61Updated 7 years ago
- Structure-informed machine learning for kinase modeling☆57Updated this week
- 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
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- Membrane protein builder and parameterizer☆19Updated 11 months ago
- An open set of tools for automating tasks relating to small molecules☆67Updated 3 years ago
- ☆45Updated 3 months ago
- A simple Python library to generate model peptides☆87Updated 4 years ago
- ☆30Updated 3 months ago
- Modeling molecular ensembles with scalable data structures and parallel computing☆36Updated last month
- Framework for the rapid modeling glycans and glycoproteins.☆30Updated last year
- pdbx is a parser module in python for structures of the protein data bank in the mmcif format☆28Updated last year
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- The python implementation of the MMTF API, decoder and encoder.☆46Updated 3 years ago
- Challenge inputs, details, and results for the SAMPL6 series of challenges☆54Updated 3 years ago
- CheTo - Chemical Topic Modeling☆32Updated 4 years ago
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆24Updated 5 years ago
- To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories.☆26Updated 4 months ago
- Control PyMOL sessions via IPython☆61Updated 2 years ago
- Elastic Network Contact Model (coarse-grained Normal Mode Analysis software)☆14Updated 8 years ago
- Conda build recipe for the rdkit☆50Updated 3 years ago
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆106Updated last year
- Open Source Protein REdesign for You v3☆54Updated last month
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Updated 8 years ago
- Normal Mode Analysis for Macromolecules☆18Updated 8 years ago