IUPAC / WFChemCookbookLinks
The IUPAC WorldFAIR Cookbook for FAIR chemical data
☆25Updated last month
Alternatives and similar repositories for WFChemCookbook
Users that are interested in WFChemCookbook are comparing it to the libraries listed below
Sorting:
- ARC - Automatic Rate Calculator☆46Updated this week
- This repository includes pKa data digitized and curated from reference books published by IUPAC.☆63Updated 2 months ago
- Python API for NIST Chemistry WebBook☆39Updated 2 months ago
- Computational Chemistry Input Generator☆48Updated 8 months ago
- ☆73Updated last month
- AutoTST: A framework to perform automated transition state theory calculations☆40Updated 11 months ago
- Flexible storage of chemical topology for molecular simulation☆62Updated last week
- PyTorch Autodiff DFT-D4 Implementation.☆20Updated last week
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆16Updated 3 weeks ago
- A Benchmark Implementation of COSMO-SAC☆64Updated 3 weeks ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆42Updated 6 years ago
- Tools for ThermoML parsing☆21Updated 3 years ago
- Python script to lookup pKa values☆26Updated last month
- ☆11Updated last year
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆52Updated 2 months ago
- ☆60Updated this week
- ☆25Updated 8 months ago
- Quantum Chemistry Web Platform☆70Updated 4 months ago
- A set of tutorials to introduce new users to the MoSDeF (Molecular Simulation Design Framework) toolkit☆26Updated last year
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆55Updated this week
- ☆28Updated last year
- Physical validation of molecular simulations☆56Updated last week
- CombiFF: automatized force-field optimization by the CSMS group at ETH Zürich☆17Updated 2 years ago
- Molecular Visualization powered by Plotly☆17Updated 2 years ago
- ☆20Updated last month
- A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.☆49Updated last year
- Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs☆92Updated 3 weeks ago
- ☆28Updated 2 years ago
- An open-source effort towards accessible polymer data☆35Updated 4 years ago
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆18Updated this week