chemprop
chemiscripts
chemprop | chemiscripts | |
---|---|---|
1 | 4 | |
1,558 | 69 | |
3.5% | - | |
9.9 | 4.9 | |
3 days ago | about 2 months ago | |
Python | Python | |
GNU General Public License v3.0 or later | MIT License |
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chemprop
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Project Update 20201131
There have been many attempts at this, the most sucessful of which is MIT's ChemProp, which we are actively working on tuning for our goals!
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?
hummingbird - Hummingbird compiles trained ML models into tensor computation for faster inference.
thermo - Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
pyod - A Comprehensive and Scalable Python Library for Outlier Detection (Anomaly Detection)
chemicalx - A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Keras - Deep Learning for humans
PubChemPy - Python wrapper for the PubChem PUG REST API.
ml-psychs
asciiMol - Curses based ASCII molecule viewer for terminals.
libRL - A Python library for characterizing Microwave Absorption
opem - OPEM (Open Source PEM Fuel Cell Simulation Tool)
faceswap - Deepfakes Software For All
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).