Repository Issue Activity (beta)

#701 Question on side chain predictions with given template

#649 SIGSEGV crash in ligand SMILES parsing due to missing implicit valence check

#589 CCD ligands have wrong isoforms

#458 Calcium ion reported as a Carbon in the generated pdb file

#631 Dropping leaving atoms between CCDs

#630 Ligands named LIG in output

#625 --accelerator cpu not working

#509 Loading Precalculated MSA file --> KeyError: '\x00'

#633 [Boltz2]: Mols.tar is downloaded even if mols/ directory is present

#628 `subsample_msa` default is actually False, not True

#564 use of multiprocessing.cpu_count() :: possible overcommit

#648 Community fork with relaxed dependencies and expanded test coverage

#622 bonds built in a glycan are too long

#390 Errors when run affinity prediction

#643 Post LN

#676 Installing and Running Boltz2 with CUDA 13.2 and Nvidia RTX A6000 GPU

#640 question: how to only output scores (affinity & optimization) but not the predicted structure

#570 screening 150 ligands with one protein

#642 Screening multiple molecules with a single protein

#428 Flag --use_potentials leads to RuntimeError: Index put requires the source and destination dtypes match

#618 Specifying ncAA with CCD code and SMILES string

#700 improve the robustness of the ligand 3D conformation generation

#627 MSA Caching Strategy Results in Degraded Prediction Quality-Done

#485 Exception: Failed to import Triton-based component: triangle_multiplicative_update

#697 Feature request: expose PAE (and confidence JSON) in the hosted API output