avirshup / py3dmolLinks
☆120Updated 8 years ago
Alternatives and similar repositories for py3dmol
Users that are interested in py3dmol are comparing it to the libraries listed below
Sorting:
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- Describe and apply transformation on molecular structures and topologies☆112Updated 2 weeks ago
- A Python library for structural cheminformatics☆100Updated last month
- Make a bunch of molecules☆96Updated 6 months ago
- Force fields produced by the Open Force Field Initiative☆151Updated last month
- LOOS: a lightweight object-oriented structure analysis library☆125Updated last month
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆116Updated last year
- C-library for calculating Solvent Accessible Surface Areas☆138Updated last year
- An application for configuring and running simulations with OpenMM☆69Updated 6 months ago
- An interoperable Python framework for biomolecular simulation.☆115Updated this week
- A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …☆114Updated 6 years ago
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆149Updated 2 weeks ago
- LiveCoMS GROMACS Tutorials Paper☆116Updated 5 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆186Updated last year
- The MinHashed Atom Pair fingerprint of radius 2☆115Updated 2 years ago
- A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces☆89Updated 2 years ago
- Python for chemoinformatics☆112Updated 4 years ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆77Updated last year
- Code and resources for the EPSRC BioSimSpace project.☆79Updated 6 months ago
- Modeling with limited data☆57Updated 6 months ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- Simple package for fast molecular similarity searches☆131Updated last month
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆146Updated 3 months ago
- Calculation of interatomic interactions in molecular structures☆95Updated 9 months ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆198Updated 3 months ago
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆123Updated 2 months ago
- A simple Python library to generate model peptides☆85Updated 4 years ago
- ☆91Updated 3 years ago
- Software for biomolecular electrostatics and solvation calculations☆102Updated 8 months ago
- MoleculeKit: Your favorite molecule manipulation kit☆220Updated this week