Requirements

For small datasets (~1000 molecules), it is possible to train models within a few minutes on a standard laptop with CPUs only. However, for larger datasets and larger Uni-Mol models, we recommend using a GPU for significantly faster training.

Notice: Uni-Core is needed, please install it first. Current Uni-Core requires torch>=2.0.0 by default, if you want to install other version, please check its Installation Documentation.

Uni-Mol is uses Python 3.8+ and all models are built with PyTorch. See Installation for details on how to install Uni-Mol and its dependencies.