thermo
chemiscripts
| thermo | chemiscripts | |
|---|---|---|
| 2 | 4 | |
| 590 | 69 | |
| - | - | |
| 9.2 | 4.9 | |
| 6 months ago | about 2 months ago | |
| Python | Python | |
| MIT License | MIT License |
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For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
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)
chemiscripts
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-ite used as a suffix for both a demonym and mineral
I found this website that did the work for me. Not perfect though, as Reddit still confused the superscript numbers and I had to use the caret (^).
- Me write pretty one day- Turn chemical formulas into unicode so you can look good when posting online
- Show HN: Chemiscripts: translate ASCII chemical formulas into Unicode
What are some alternatives?
CoolProp - Thermophysical properties for the masses
chemicalx - A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
aizynthfinder - A tool for retrosynthetic planning
PubChemPy - Python wrapper for the PubChem PUG REST API.
libRL - A Python library for characterizing Microwave Absorption
asciiMol - Curses based ASCII molecule viewer for terminals.
ScaffoldGraph - ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.
opem - OPEM (Open Source PEM Fuel Cell Simulation Tool)
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.
rxnmapper - RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
chemprop - Message Passing Neural Networks for Molecule Property Prediction