avirshup / py3dmol
☆103Updated 8 years ago
Related projects ⓘ
Alternatives and complementary repositories for py3dmol
- Software for biomolecular electrostatics and solvation calculations☆95Updated 2 months ago
- Code and resources for the EPSRC BioSimSpace project.☆77Updated 2 weeks ago
- C-library for calculating Solvent Accessible Surface Areas☆115Updated 5 months ago
- Modeling with limited data☆54Updated last week
- Make a bunch of molecules☆94Updated this week
- LiveCoMS GROMACS Tutorials Paper☆109Updated 5 years ago
- A Python library for structural cheminformatics☆93Updated 8 months ago
- LOOS: a lightweight object-oriented structure analysis library☆122Updated 2 weeks ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆99Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆137Updated 3 months ago
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆109Updated 5 years ago
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆87Updated 3 months ago
- Material from papers from KULL centre☆66Updated 5 months ago
- MoleculeKit: Your favorite molecule manipulation kit☆205Updated 2 weeks ago
- Analyse Nucleic Acids Structure and Simulations with baRNAba☆41Updated 8 months ago
- A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces☆86Updated last year
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆57Updated 3 years ago
- ☆49Updated last year
- A primer on statistical mechanics for biochemists☆46Updated 2 years ago
- mmCIF Core Access Library☆38Updated last week
- View proteins and trajectories in the terminal☆103Updated 4 years ago
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆145Updated 8 months ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆66Updated last year
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆103Updated 11 months ago
- Simplified and standard interface to a number of cheminformatics toolkits☆87Updated last year
- An application for configuring and running simulations with OpenMM☆54Updated last week
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆135Updated 2 months ago
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆130Updated last week
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆66Updated 6 months ago
- A simple Python library to generate model peptides☆79Updated 3 years ago