R11301/preprocess.pymaster
R11301/preprocess.py
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
2ae2563a46c3 | matt | Switched to ideal databases. Removed duplicate molecules until objective… | Nov 30 2021 | |||
b1b6ccce0c15 | matt | Added preprocessing of the connectivity matrices to improve on runtime; various… | Nov 22 2021 | |||
cad06c9aec83 | matt | Modifed preprocessing to remove hydrogens; various changes on onepass (i forgot… | Nov 11 2021 | |||
ee3c54d0dd06 | matt | First sketch of preprocessing; allowed taking molecules multiple times | Nov 9 2021 |
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