thermo
ScaffoldGraph
thermo | ScaffoldGraph | |
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2 | 1 | |
590 | 158 | |
- | 4.4% | |
9.2 | 2.7 | |
6 months ago | over 2 years ago | |
Python | Python | |
MIT License | MIT License |
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thermo
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AbaCalc - Calculator for engineers, students & technicians
I’m doing similar things using an api with some Python tools in the background to do the heavy lifting with units and thermo/chemical calcs using the Caleb Bell’s libraries for thermo and fluids
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What are your favorite Python libraries?
fluids: Fluid dynamics ht: Heat Transfer chemicals: Chemical Data thermo: Phase Equilibrium (hasn't had a release in a while, but fairly complete)
ScaffoldGraph
What are some alternatives?
CoolProp - Thermophysical properties for the masses
asciiMol - Curses based ASCII molecule viewer for terminals.
aizynthfinder - A tool for retrosynthetic planning
octadist - A tool for calculating distortion parameters in coordination complexes.
libRL - A Python library for characterizing Microwave Absorption
xyz2mol - Converts an xyz file to an RDKit mol object
Machine-Learning-for-Asset-Managers - Implementation of code snippets, exercises and application to live data from Machine Learning for Asset Managers (Elements in Quantitative Finance) written by Prof. Marcos López de Prado.
datamol - Molecular Processing Made Easy.
chemiscripts - translate ASCII chemical formulas into Unicode
Scopy - An integrated negative design python library for desirable HTS/VS database design
PubChemPy - Python wrapper for the PubChem PUG REST API.
PDN - The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)