RosettaCommons / RosettaCommons/RFdiffusion

outdated requirements, how to install on cuda 12.x and python 3.11 or later ?

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Python
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Description

env/SE3nv.yml
contains these dependencies

dependencies:
  - python=3.9
  - pytorch=1.9
  - cudatoolkit=11.1
  - dgl-cuda11.1
  - ...

However, this page [1] says, that L40s would require cuda12.1 or later. Moreover, python/3.9 has reached end-of-life [2]. So I'm wondering what the recommended procedure for installing rfdiffusion on a new software stack (e.python 3.11, cuda 12.x) would be.

Cheer,
Alois

[1] https://forums.developer.nvidia.com/t/minimum-required-cuda-version-by-gpu/276955
[2] https://devguide.python.org/versions/

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Research direction

Start with env/SE3nv.yml and review its Python, PyTorch, CUDA toolkit, and DGL dependency pins. Check the linked GPU and Python version references, then determine the supported installation path for Python 3.11 and CUDA 12.x. Done means the repository documents a verified procedure or clearly states the supported versions and limitations.

Written by the indexing model from the issue text.

Assessment

Tech stack
python, pytorch
Domain
machine-learning
Issue type
Documentation
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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