Comments (2)
Thank you for your answer and for the updated version. That previous issue/suggestion was from me but I missed your answer as I was in vacation. I'll give it a try.
I'll be very interested to test FABind+
Best,
Christian
from fabind.
Hi, Thank you for your interest in our work.
The recent update to fabind_inference.py is an update of FABind to support the saving of .mol2
files and multiple compounds, as discussed in this issue.
We are in the process of finalizing the training codes for FABind+ and plan to incorporate them into this repository.
from fabind.
Related Issues (16)
- No pretrained model HOT 2
- Processing multiple smiles on one target HOT 1
- not all ligands submitted get through
- return complex hidden features in inference HOT 1
- When will FABind+ be released? HOT 4
- problem with preprocessing smiles in FABind+ HOT 2
- Sampling on custom complexes? HOT 6
- No CUDA runtime is found HOT 2
- Segmentation fault HOT 2
- Reproduciblity of Results with Inference Mode HOT 1
- Does FABind provide some confidence/affinity score? HOT 2
- Alternatives to SMILES HOT 1
- No Results Written to uid_smiles_sdfname.csv After Running Inference on Custom Complexes HOT 3
- Keyerror "Complex" when infer examples
- Binding scores? HOT 1
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