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:
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated last week
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- ☆61Updated 2 months ago
- Flexible storage of chemical topology for molecular simulation☆63Updated this week
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆20Updated 3 months ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆101Updated last year
- ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…☆81Updated last week
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- Generate supporting information documents for your computational chemistry manuscripts - Documentation: https://esigen.readthedocs.io☆21Updated 6 years ago
- Dihedral scanner with wavefront propagation☆34Updated 4 months ago
- Quick Reaction Coordinate using Python☆39Updated last year
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆79Updated last week
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆53Updated this week
- A collection of molecular optimisers and property calculators for use with stk.☆24Updated 4 months ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Updated 3 years ago
- fast functionalisation of molecules☆37Updated 3 years ago
- Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output f…☆28Updated last week
- Mindless molecule generator in a Python package.☆38Updated 2 months ago
- Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package☆35Updated last month
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆52Updated last year
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆32Updated 10 months ago
- This is the repository corresponding to the TS-tools project.☆23Updated last week
- Basis set optimization library for quantum chemistry☆35Updated 2 months ago
- Quantum Chemistry Web Platform☆71Updated 3 weeks ago
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆68Updated 4 months ago
- An automated framework for generating optimized partial charges for molecules☆39Updated 3 weeks ago
- Automated Monte Carlo Conformational Searching with Python☆17Updated 4 years ago
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30Updated 3 years ago
- A Package for Parametrization of Molecular Mechanics Force Fields☆33Updated 2 years ago
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆54Updated last week