Salvatore

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icon company Molecular Modeling & Virtual Screening Laboratory icon location Pisa icon location Master degree in Medicinal Chemistry, Experience in chemoinformatics, machine learning, QSAR and computational chemistry (molecular docking and dynamic)

Results 3 issues of Salvatore

Errors in the encoding of some bits

1 comment

Hi, I was checking the code behind the PubChem fingerprint generation. I did some comparisons between fingerprints calculated with your code and those calculated with PyFingerprint which uses the cdk...

Error when installing on Windows 11

Hi, I am experiencing problems using FpSim2 on Windows 11. After installing the library, I try to import it and the command-line python crashes without giving any error. I tried...

SMARTS query

2 comment

HI, I want to congratulate you on the great work you have done. I have a request if possible. Features can be integrated to support query creation using SMARTS annotation....