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@martinez-zacharya martinez-zacharya released this 24 May 21:32
· 161 commits to main since this release
v1.7.0
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Learn about vigilant mode.

Special shoutout to Dante Dam for refactoring trill_main.py and splitting up the commands into their own separate scripts. Everything has been sped up, since now there isn't a huge import block at the beginning of trill_main.py

Also, LigandMPNN has been added, allowing for inverse folding with ligands.

LightGBM has been added to classify

Regress is a new command, allowing users to train and evaluate linear or LightGBM regressors.

3Di-Search allows for rapid structural homology search using MMSeqs2. Instead of requiring input structures, ProstT5 first predicts 3Di tokens from protein sequences and uses the extracted tokens as input to MMSeqs2. This should allow for more rapid, large scale searches, since the protein doesn't need to have it's full atomic structure predicted.

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