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Create environment_blackwell.yml for RTX 5000 PyTorch support#1282

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biochem-fan merged 1 commit into3dem:ver5.0from
rbs-sci:master
Jul 25, 2025
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Create environment_blackwell.yml for RTX 5000 PyTorch support#1282
biochem-fan merged 1 commit into3dem:ver5.0from
rbs-sci:master

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@rbs-sci rbs-sci commented Jul 25, 2025

New environment.yml file for CUDA 12.8 (Blackwell) GPU support for BLUSH, Model-Angelo and DynaMight.

Compatible with any nVidia GPU supporting the nvidia-open driver, but does not work with pre-Turing GPUs, so do not replace current environment.yml.

@biochem-fan biochem-fan merged commit cdf8c6b into 3dem:ver5.0 Jul 25, 2025
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Thank you very much!

Just linking the main issue #1275.

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