R11301/datafilter.npzmaster
R11301/datafilter.npz
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
1c17dba2d764 | matt | Changed preprocess.py for old qm7 data to have same structure as the new ones. | Jan 6 2022 | |||
fa27a77d2a83 | matt | Support for 3 new vector representations. Model parameters to avoid getting… | Dec 21 2021 | |||
2ae2563a46c3 | matt | Switched to ideal databases. Removed duplicate molecules until objective… | Nov 30 2021 | |||
cad06c9aec83 | matt | Modifed preprocessing to remove hydrogens; various changes on onepass (i forgot… | Nov 11 2021 |
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