Dhiraj Srivastava

My python version is 3.10. when I used pip install boltz -U, it worked fine.

Hi Rohith I am using command "rf3 fold mypdb.json" and trying to do template based prediction. json file is [ { "name": "mypdb_rf", "components": [ { "path": "./mypdb.pdb" } ],...

Hi Jasper I tried this json file - { "partial_diffusion": { "input": "mypdb.pdb", "partial_t": 30.0, "select_unfixed_seq": "A1-140" } } and I am getting following error. select_unfixed_seq Extra inputs are not...

Thank you Rachel Now it's working up to some extent but the problem is, I don't see any significant difference from the initial model and sequence. also, whatever model/sequence its...

Thanks Jasper It's not recognizing false. I have to put it in format chain ID-resid, so I fixed other chains. Now it's too much change. For partial_t value, I went...

Hi Jasper after all these settings, backbone is moving so much that I will say it's unrecognizable compared to the original. I tried going very low in partial_t with same...

Hi Jasper I tried. do you think 600 residues long target is too big for 48 gb vram? Thanks Dhiraj

Hi Jasper and @Cookiemaster33, I did tried to reduce the batch size to 1 without much help. I am able to run it on A100 with 80 gb ram but...

@ttnnguyen1 1300 AA is too big a target and even if you are able to run it without memory issue, it will take long time to get enough binders generated...

``` From: rockylinux/rockylinux:9.6 %files path_to_hbplus/hbplus /hbplus path_to_foundry/foundry /foundry %post # base os yum install -y wget git gcc-gfortran gcc gcc-c++ kernel-devel make cd /hbplus make cd ../ # install miniconda...