MinsikBae

The results ligand is different from SMILES I have entered

1

I am experiencing a discrepancy between the ligand structure I expect based on my input SMILES and the 3D structure generated by Boltz. My SMILES string specifies an alkane chain...

Misgenerate the filename

4

Dear Developer, I have two workstations. I set up the calculation on the first computer and transferred the data and conditions to the second computer(Generated requirements.txt at the first computer...