HannesStark / EquiBind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
MIT License
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pyaml syntax error #71

Open BlackWyvernX opened 2 weeks ago

BlackWyvernX commented 2 weeks ago

(equibind) akshat@Akshat:/mnt/d/program/condaenv/equibind$ python inference.py --config=configs_clean/inference.yml Traceback (most recent call last): File "inference.py", line 21, in from train import load_model File "/mnt/d/program/condaenv/equibind/train.py", line 13, in from trainer.binding_trainer import BindingTrainer File "/mnt/d/program/condaenv/equibind/trainer/binding_trainer.py", line 4, in from trainer.trainer import Trainer File "/mnt/d/program/condaenv/equibind/trainer/trainer.py", line 7, in import pyaml File "/home/akshat/miniconda3/envs/equibind/lib/python3.7/site-packages/pyaml/init.py", line 14 if (sort_keys := kws.pop('sort_dicts', None)) is not None: ^ SyntaxError: invalid syntax

this is the error I am getting again and again

DanLep97 commented 1 week ago

I am getting the same issue.

I found a solution by modifying slightly the requirements inside the environment.yml file. I changed the version of pyaml to pyaml=17.12.1 which is compatible with python 3.7:

channels:
  - conda-forge
  - defaults
  - dglteam
  - pytorch
dependencies:
  - python=3.7
  - pytorch 1.10
  - torchvision
  - cudatoolkit=10.2
  - torchaudio
  - dgl-cuda10.2
  - rdkit
  - openbabel
  - biopython
  - rdkit
  - biopandas
  - pot
  - dgllife
  - joblib
  - pyaml=17.12.1
  - icecream
  - matplotlib
  - tensorboard

I hope it helps.