lukasturcani / mol-drawLinks
A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
☆21Updated 2 years ago
Alternatives and similar repositories for mol-draw
Users that are interested in mol-draw are comparing it to the libraries listed below
Sorting:
- Flexible storage of chemical topology for molecular simulation☆64Updated this week
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆103Updated last year
- ☆61Updated 4 months ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated this week
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation☆26Updated 3 years ago
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆32Updated last year
- ARC - Automatic Rate Calculator☆46Updated this week
- Dihedral scanner with wavefront propagation☆34Updated 6 months ago
- Quick Reaction Coordinate using Python☆39Updated last year
- Automated Monte Carlo Conformational Searching with Python☆17Updated 4 years ago
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆68Updated this week
- AutoTST: A framework to perform automated transition state theory calculations☆44Updated last year
- Computational Chemistry Input Generator☆50Updated last month
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆80Updated this week
- Python Library for Automating Molecular Simulations☆86Updated this week
- This library tackles the construction and efficient execution of computational chemistry workflows☆50Updated last year
- a unified interface for molecular harmonic vibrational frequency calculations☆33Updated 3 months ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Updated last year
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆73Updated 6 months ago
- Yet Another extended Hueckel Molecular Orbital Package☆27Updated 7 months ago
- MoleView: A Fast and lightweight plug-in for 3D molecular visualization☆31Updated 9 months ago
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆52Updated last year
- A wrapper to run xtb inside Gaussian.☆23Updated 5 years ago
- Molecular structure optimizer☆126Updated 2 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Updated 3 years ago
- A Benchmark Implementation of COSMO-SAC☆70Updated 4 months ago
- Python tools for automating routine tasks encountered when running quantum chemistry computations.☆53Updated 3 weeks ago
- The source of the votca-csg and xtp packages☆57Updated this week