thermo
aizynthfinder
thermo | aizynthfinder | |
---|---|---|
2 | 3 | |
590 | 535 | |
- | 2.4% | |
9.2 | 5.7 | |
6 months ago | 5 days 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)
aizynthfinder
- Inorganic Synthesis Of Meso-Tetraphenylporphin
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possible AI retrosynthesis analysis
I'm not a chemist. I am, however, reasonably competent with programming and have a background in science. I was looking for ways a humble programmer might be able to help and came across this open-source project: https://github.com/MolecularAI/aizynthfinder
- Retrosynthesis practice
What are some alternatives?
CoolProp - Thermophysical properties for the masses
asciiMol - Curses based ASCII molecule viewer for terminals.
libRL - A Python library for characterizing Microwave Absorption
muzero-general - MuZero
ScaffoldGraph - ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
Hypernets - A General Automated Machine Learning framework to simplify the development of End-to-end AutoML toolkits in specific domains.
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.
chemlib - 🧪 A comprehensive chemistry library for Python.
chemiscripts - translate ASCII chemical formulas into Unicode
PubChemPy - Python wrapper for the PubChem PUG REST API.
ME-PHYS_Undergraduate_Courses - Here will be some of the codes I used whilst studying Mechanical Engineering and Physics at the Bilkent University.
feos - FeOs - A Framework for Equations of State and Classical Density Functional Theory