etonello / crnpyLinks
A python library for the analysis of chemical reaction networks.
☆22Updated 3 years ago
Alternatives and similar repositories for crnpy
Users that are interested in crnpy are comparing it to the libraries listed below
Sorting:
- A Python library for solution chemistry☆70Updated last week
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆18Updated 2 weeks ago
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆14Updated 2 years ago
- The new generation molecular viewer for IPython notebook☆82Updated 5 years ago
- A script for importing molecular geometries into Blender☆36Updated 3 years ago
- Tools for ThermoML parsing☆21Updated 4 years ago
- Python API for NIST Chemistry WebBook☆46Updated 4 months ago
- The database of chemical parameters used with Reaction Mechanism Generator☆118Updated 2 weeks ago
- An open-source, online textbook introducing Python programming to chemistry students☆27Updated 5 years ago
- Python-based library for working with computational chemistry files☆21Updated last month
- ☆15Updated 2 years ago
- Flowchem is an application to simplify the control of instruments and devices commonly found in chemistry labs.☆19Updated last month
- python simulation interface for molecular modeling☆100Updated 3 years ago
- Gibbs-Helmholtz Graph Neural Network☆19Updated 2 years ago
- ⚙️🐺 Robotic chemistry made easy☆32Updated 2 years ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆23Updated 2 years ago
- Server code for MongoChem chemical data☆16Updated 3 years ago
- Python script to lookup pKa values☆26Updated 3 months ago
- An Avogadro plugin with a gui to create packmol input files and run packmol from within Avogadro.☆11Updated 15 years ago
- This is JSmol viewer widget for Jupyter Notebooks and JupyterLab☆33Updated 2 years ago
- Python wrapper for the ChemSpider API☆120Updated 7 years ago
- Systematic pH calculation package for Python☆37Updated 2 years ago
- plug-n-play black box optimizer for high-throughput computing☆51Updated 2 years ago
- ARC - Automatic Rate Calculator☆46Updated this week
- MD trajectory server☆35Updated 2 years ago
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- funsies is a lightweight workflow engine 🔧☆41Updated 4 years ago
- A framework for conducting polymer reference interaction site model (PRISM) calculations☆45Updated 4 years ago
- Implementation of various machine learning representations for molecules☆25Updated 3 years ago
- kinetic isotope effect prediction with Gaussian☆16Updated 2 years ago