chemprop VS chemiscripts

Compare chemprop vs chemiscripts and see what are their differences.

chemprop

Message Passing Neural Networks for Molecule Property Prediction (by chemprop)

chemiscripts

translate ASCII chemical formulas into Unicode (by jwilk)
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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
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.

chemprop

Posts with mentions or reviews of chemprop. We have used some of these posts to build our list of alternatives and similar projects. The last one was on 2021-02-25.
  • Project Update 20201131
    2 projects | /r/CompDrugNerds | 25 Feb 2021
    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

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 chemprop and chemiscripts you can also consider the following projects:

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).