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aqlaboratory / openfold

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
Apache License 2.0
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Enabling compatibility with the latest OpenMM release #5

Open jchodera opened 2 years ago

jchodera commented 2 years ago

Our recent OpenMM 7.6 release included some namespace changes that look liked they required pinning this repo to OpenMM 7.5.1.

Is it OK with you folks if we propose a pull request that should enable compatibility with OpenMM 7.6 and later (ideally without breaking backwards compatibility as well)?

gahdritz commented 2 years ago

Absolutely!

gahdritz commented 2 years ago

I should add that we inherited this OpenMM version number from the original AlphaFold---it's likely that DeepMind ran into the same issue.