Comments (2)
UnixJunkie
commented on September 28, 2024
- how to project a molecules in the ph4 points space
- how to compare two molecules/many
- how to compare two BSs/many
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UnixJunkie
commented on September 28, 2024
e.g. how to extract ph4 points from a molecule in SDF format; e.g. example usage of the right python script
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