e3tools
A repository of building blocks in PyTorch 2.0 for E(3)/SE(3)-equivariant neural networks, built on top of e3nn:
- Equivariant Convolution:
e3tools.nn.Convande3tools.nn.SeparableConv - Equivariant Multi-Layer Perceptrons (MLPs):
e3tools.nn.EquivariantMLP - Equivariant Layer Norm:
e3tools.nn.LayerNorm - Equivariant Activations:
e3tools.nn.Gate,e3tools.nn.GateWrapperande3tools.nn.Gated - Separable Equivariant Tensor Products:
e3tools.nn.SeparableTensorProduct - Extracting Irreps:
e3tools.nn.ExtractIrreps - Self-Interactions:
e3tools.nn.LinearSelfInteraction
All modules are compatible with torch.compile for JIT compilation.
Installation
Install from PyPI:
pip install e3tools
or get the latest development version from GitHub:
pip install git+https://github.com/prescient-design/e3tools.git
Examples
We provide examples of a convolution-based and attention-based E(3)-equivariant message passing networks built with e3tools. We also provide an example training script on QM9:
python examples/train_qm9.py --model conv
We see an approximate 2.5x improvement in training speed with torch.compile.
1 maintainer
Metadata
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Release files for e3tools 0.1.3
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| File | Size | Uploaded | Provenance | Actions |
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Total release size: 128.1 kB
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