rmera / gochemLinks
A library for Computational Chemistry in the Go programming language
☆46Updated last month
Alternatives and similar repositories for gochem
Users that are interested in gochem are comparing it to the libraries listed below
Sorting:
- ⚙️🐺 Robotic chemistry made easy☆32Updated 2 years ago
- The Biochemical Algorithms Library☆74Updated 3 years ago
- Automated bonded parameters for Martini 3☆25Updated 6 months ago
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 9 months ago
- The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…☆44Updated 2 weeks ago
- MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online☆92Updated 3 years ago
- Create macromolecular images☆33Updated 10 months ago
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Updated 9 years ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- Explain a SMARTS using SmartsView (K. Schomburg and M. Rarey)☆16Updated 4 years ago
- JupyterLab extension for py3Dmol☆22Updated 4 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Updated 7 years ago
- Constant pH simulation with OpenMM☆18Updated 10 months ago
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆35Updated 3 years ago
- Open source Java-based chemistry library☆114Updated this week
- Molecular Dynamics in the Open☆85Updated 3 months ago
- Python tools for VMD☆10Updated 7 years ago
- Chemoinformatics toolkit with support for inorganic molecules☆44Updated 4 months ago
- Analysing trajectories with chemfiles☆13Updated 3 years ago
- GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems☆85Updated 2 months ago
- ☆24Updated 4 months ago
- Systematic force field optimization.☆157Updated last year
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆58Updated this week
- Coarse-graining potentials from atomistic references made easy☆26Updated 4 years ago
- Databases and Interoperability in Quantum Chemistry☆13Updated 7 years ago
- MD trajectory server☆35Updated 2 years ago
- ☆12Updated 11 years ago
- Schrodinger-developed 2D Coordinate Generation☆46Updated 3 weeks ago
- Simple library for reading trajectory coordinates☆18Updated 9 years ago
- Sire Molecular Simulations Framework☆96Updated 2 years ago