pan xiaolin

thanks for your suggestions！

Hi, the tutorial is not clear. For the first step in the pdl1 Jupyter notebook (Collect MaSIF matches and scores), do you know how to get the data for the...

When I use the provided template for only structure predictions, it works correctly and returns the expected results. However, when I attempt to use the same setup to predict affinity,...

I am experiencing the same issue. It seems that the chunking feature is working now. Could you provide a tutorial on how to use it? I have updated Boltz-1 to...

It still occurs for me. ``` version: 1 sequences: - protein: id: [A, B, C, D] sequence: MPVRRGHVAPQNTFLDTIIRKFEGQSRKFIIANARVENCAVIYCNDGFCELCGYSRAEVMQRPCTCDFLHGPRTQRRAAAQIAQALLGAEERKVEIAFYRKDGSCFLCLVDVVPVKNEDGAVIMFILNFEVVMEKDMVGSSPTSDREIIAPKIKERTHNVTEKVTQVLSLGADVLPEYKLQAPRIHRWTILHYSPFKAVWDWLILLLVIYTAVFTPYSAAFLLKETEEGPPATECGYACQPLAVVDLIVDIMFIVDILINFRTTYVNANEEVVSHPGRIAVHYFKGWFLIDMVAAIPFDLLIFGSGSEELIGLLKTARLLRLVRVARKLDRYSEYGAAVLFLLMCTFALIAHWLACIWYAIGNMEQPHMDSRIGWLHNLGDQIGKPYNSSGLGGPSIKDKYVTALYFTFSSLTSVGFGNVSPNTNSEKIFSICVMLIGSLMYASIFGNVSAIIQRLYSGTARYHTQMLRVREFIRFHQIPNPLRQRLEEYFQHAWSYTNGIDMNAVLKGFPECLQADICLHLNRSLLQHCKPFRGATKGCLRALAMKFKTTHAPPGDTLVHAGDLLTALYFISRGSIEILRGDVVVAILGKNDIFGEPLNLYARPGKSNGDVRALTYCDLHKIHRDDLLEVLDMYPEFSDHFWSSLEITFNLRDTNMIPGGRQYQELPRCPAPTPSLLNIPLSSPGRRPRGDVESRLDALQRQLNRLETRLSADMATVLQLLQRQMTLVPPAYSAVTTPGPGPTSTSPLLPVSPLPTLTLDSLSQVSQFMACEELPPGAPELPQEGPTRRLSLPGQLGALTSQPLHRHGSDPGSLEVLFQ - ligand: id: [E] smiles: O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 ```

> Hi @xiaolinpan, unfortunately at the moment we do not support the predictions of structures with >> 2000 residues/tokens on regular GPUs, the structure in your examples has above 3200...

I have a similar question. Given that tautomeric and protonation states are crucial for the accuracy of traditional docking programs, I am wondering if they also influence the results from...