Ryoji Takahashi

ValueError: Minimization failed after 100 attempts.

3

``` ... I0404 21:01:29.229502 140648689870656 amber_minimize.py:69] Restraining 478 / 979 particles. I0404 21:01:29.413306 140648689870656 amber_minimize.py:418] Unit "kilocalorie/mole" is not compatible with Unit "kilojoule/(nanometer*mole)". I0404 21:01:29.493218 140648689870656 amber_minimize.py:408] Minimizing protein, attempt...

[BUG] another local installation problem from openfold: ModuleNotFoundError: No module named 'scripts' .

3

I had the same issue [#2](https://github.com/kyegomez/AlphaFold3/issues/2), however, when I installed torch+cu117 manually, ``` pip install -U torch==2.0.0+cu117 torchtext==0.15.1 --extra-index-url https://download.pytorch.org/whl/cu117 ``` this problem was gone. However, now, I am seeing...

Hi, Executing pdbbind and posebusters benchmarks with v1.1 ``` python -m evaluate --config default_inference_args.yaml --data_dir ../../v1.1/DiffDock/data/posebusters_benchmark_set --tqdm --dataset posebusters --split_path data/splits/posebusters_benchmark_set_ids.txt --esm_embeddings_path ../../v1.1/DiffDock/data/posebusters_ESM.pt --chain_cutoff 10 --batch_size 10 --protein_file protein --ligand_file...