chemiscripts
translate ASCII chemical formulas into Unicode (by jwilk)
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). (by rxn4chemistry)
| chemiscripts | rxnmapper | |
|---|---|---|
| 4 | 1 | |
| 68 | 266 | |
| - | 4.1% | |
| 4.9 | 4.5 | |
| about 2 months ago | 4 months ago | |
| Python | Python | |
| MIT License | 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.
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.
chemiscripts
Posts with mentions or reviews of chemiscripts.
We have used some of these posts to build our list of alternatives
and similar projects.
-
-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
rxnmapper
Posts with mentions or reviews of rxnmapper.
We have used some of these posts to build our list of alternatives
and similar projects.
-
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
Give RXNMapper a try on our online demoS.CN(C)C%253DO.Fc1cccnc1F.O%253DC(%255BO-%255D)%255BO-%255D.%255BK%252B%255D.%255BK%252B%255D%253E%253ECC(C)Sc1ncccc1F&selectedLayer=10&selectedHead=5&selectedTokenSide=null&selectedTokenInd=null), and make sure to star our open-source code on GitHub.
What are some alternatives?
When comparing chemiscripts and rxnmapper you can also consider the following projects:
thermo - Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
chemicalx - A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
PubChemPy - Python wrapper for the PubChem PUG REST API.
asciiMol - Curses based ASCII molecule viewer for terminals.
opem - OPEM (Open Source PEM Fuel Cell Simulation Tool)
chemprop - Message Passing Neural Networks for Molecule Property Prediction