chemicalx
chemiscripts
chemicalx | chemiscripts | |
---|---|---|
5 | 4 | |
700 | 69 | |
0.7% | - | |
3.1 | 4.9 | |
8 months ago | about 2 months ago | |
Python | Python | |
Apache License 2.0 | MIT License |
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
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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.
chemicalx
- Show HN: What do you need to score drug combos? Sugar, spice, and ChemicalX
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[R] ChemicalX: A Deep Learning Library for Drug Pair Scoring
Code for https://arxiv.org/abs/2202.05240 found: https://github.com/AstraZeneca/chemicalx
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ChemicalX: A Deep Learning Library for Drug Pair Scoring
Link: https://github.com/AstraZeneca/chemicalx
chemiscripts
-
-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?
PyNeuraLogic - PyNeuraLogic lets you use Python to create Differentiable Logic Programs
thermo - Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
deepchem - Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
PubChemPy - Python wrapper for the PubChem PUG REST API.
torchdrug - A powerful and flexible machine learning platform for drug discovery
asciiMol - Curses based ASCII molecule viewer for terminals.
GraphMixerNetworks - Official Implementation of Graph Mixer Networks
opem - OPEM (Open Source PEM Fuel Cell Simulation Tool)
GraphGPS - Recipe for a General, Powerful, Scalable Graph Transformer
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).
OpenChem - OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
chemprop - Message Passing Neural Networks for Molecule Property Prediction