chemicalx VS chemiscripts

Compare chemicalx vs chemiscripts and see what are their differences.

chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022) (by AstraZeneca)
Deep Learning Pytorch deep-chemistry graph-neural-network drug drug-pair polypharmacy drug-discovery pharma drug-interaction Chemistry Biology Machine Learning Torch geometric-deep-learning Geometry smiles smiles-strings torchdrug
Source Code
chemicalx.readthedocs.io
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chemiscripts

translate ASCII chemical formulas into Unicode (by jwilk)
Unicode Chemistry
Source Code
jwilk.github.io
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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
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
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

Posts with mentions or reviews of chemicalx. We have used some of these posts to build our list of alternatives and similar projects.

chemiscripts

Posts with mentions or reviews of chemiscripts. We have used some of these posts to build our list of alternatives and similar projects.

What are some alternatives?

When comparing chemicalx and chemiscripts you can also consider the following projects:

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

chemicalx vs PyNeuraLogic chemiscripts vs thermo chemicalx vs deepchem chemiscripts vs PubChemPy chemicalx vs torchdrug chemiscripts vs asciiMol chemicalx vs GraphMixerNetworks chemiscripts vs opem chemicalx vs GraphGPS chemiscripts vs rxnmapper chemicalx vs OpenChem chemiscripts vs chemprop