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MolecularAI
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reaction_utils
Utilities for working with datasets of chemical reactions, reaction templates and template extraction.
https://molecularai.github.io/reaction_utils/
Apache License 2.0
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Adding updates for 1.5.0 release
#18
SGenheden
closed
2 months ago
0
Updates for 1.4.0 release
#17
SGenheden
closed
4 months ago
2
Add Github action to publish releases to PyPI
#16
Lakshidaa
closed
6 months ago
2
Release 1.3.0
#15
SGenheden
closed
6 months ago
1
why just check these four atom properties?
#14
queliyong
closed
7 months ago
2
USPTO processing pipeline: "remove_unsanitizable" implies "trim_rxn_smiles" called before
#13
Academich
opened
9 months ago
1
Neutralize molecules
#12
iuhgnor
closed
1 year ago
4
Public release 1.2.0
#11
SGenheden
closed
1 year ago
0
Release 1.1.1
#10
SGenheden
closed
1 year ago
2
Release 1.1.0
#9
SGenheden
closed
1 year ago
1
Dependency updates
#8
SGenheden
closed
1 year ago
0
Ord importer
#7
SGenheden
closed
1 year ago
0
Check that RDKit Contrib folder was installed
#6
SGenheden
closed
1 year ago
0
Fix package for non Linux systems
#5
SGenheden
closed
1 year ago
1
Fix template docs
#4
marcosfelt
closed
1 year ago
1
Contrib folder not installed with RDkit pypi installation
#3
SGenheden
closed
1 year ago
1
Upload package to pypi
#2
marcosfelt
closed
1 year ago
5
Pickle error with timeout_decorator package
#1
marcosfelt
closed
1 year ago
10