pypi.org "thermochemistry" keyword
pourbase 0.1.0
Source-linked experimental thermochemistry database and Pourbaix diagram calculator1 version - Latest release: 8 days ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
chemistry-ai999x 1.5.0 💰
Offline chemistry solver: stoichiometry, gas laws, solutions, chemical equilibrium, acids and bas...3 versions - Latest release: 1 day ago - 0 downloads last month - 0 stars on GitHub - 1 maintainer
pyqrc 2.4.0
A Python program to project computed structures along normal modes for Quick Reaction Coordinate ...4 versions - Latest release: about 1 month ago - 1 dependent repositories - 60 downloads last month - 45 stars on GitHub - 1 maintainer
pmutt 1.4.17
Python Multiscale Thermochemistry Toolbox (pmutt)46 versions - Latest release: over 1 year ago - 3 dependent packages - 1 dependent repositories - 1.08 thousand downloads last month - 48 stars on GitHub - 2 maintainers
panthera 0.5.2
Package for calculating thermochemistry with anharmonic corrections1 version - Latest release: about 5 years ago - 1 dependent repositories - 31 downloads last month - 6 stars on GitHub - 1 maintainer
aarontools 1.1
Tools for measuring and manipulating molecular structures21 versions - Latest release: almost 2 years ago - 1 dependent repositories - 275 downloads last month - 63 stars on GitHub - 1 maintainer
goodvibes 4.4.0
A python program to compute corrections to thermochemical data from frequency calculations13 versions - Latest release: about 2 months ago - 2 dependent packages - 1 dependent repositories - 21 thousand downloads last month - 179 stars on GitHub - 1 maintainer
overreact 1.2.0
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data4 versions - Latest release: over 3 years ago - 1 dependent repositories - 19 downloads last month - 65 stars on GitHub - 1 maintainer
pyglenn 0.3.0
Thermochemical properties calculator — computes Cp(T), H°(T), S°(T) from NASA polynomial coeffici...19 versions - Latest release: 6 days ago - 76 downloads last month - 20 stars on GitHub - 1 maintainer
chemperium 0.0.1
Chemperium package1 version - Latest release: over 2 years ago - 9 downloads last month - 11 stars on GitHub - 1 maintainer
propwrap 0.1.3
SI-native Python library for liquid bipropellant thermochemistry on NASA CEA (RocketCEA) with Can...4 versions - Latest release: 3 months ago - 35 downloads last month - 0 stars on GitHub - 1 maintainer
thermoscreening 0.2.2
A Python package for screening molecules for their thermochemical properties.4 versions - Latest release: 4 months ago - 3 stars on GitHub - 1 maintainer
chemapproxy 1.0.0
Module importing ChemApp functions to Python1 version - Latest release: 6 months ago - 17 downloads last month - 0 stars on GitHub - 1 maintainer
atct 1.0.1
ATcT: Active Thermochemical Tables — Python client for v1 API2 versions - Latest release: 7 months ago - 20 downloads last month - 0 stars on GitHub - 1 maintainer
labmate-mcp 7.3.1
Your AI lab companion — 78 MCP tools from literature search to benchwork to publication4 versions - Latest release: 9 months ago - 441 downloads last month - 3 stars on GitHub - 1 maintainer
uma-ase 1.0
UMA MLIPs integrated with ASE workflows15 versions - Latest release: 5 months ago - 480 downloads last month - 0 stars on gitlab.com - 1 maintainer
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chemistry
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