microsoft / AI2BMD

AI-powered ab initio biomolecular dynamics simulation
MIT License
383 stars 46 forks source link

failed to build an environment to run the geoformer model #9

Closed LengyanReader closed 2 weeks ago

LengyanReader commented 9 months ago

Regarding this version combination, it can't be installed, is there a better one for installing?

image 5656677895f49b7dae643d60b975bf4
yusowa0716 commented 9 months ago

Hi LengyanReader,

These are the official installation instructions for PyTorch. If you encounter any issues, it might be worth checking whether your GPU supports the version of CUDA you're trying to use. Additionally, I recommend trying out mamba for installation, as it can often provide a smoother and faster installation experience.

Best regards, Yusong