GRASP-A3 / example.py
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Release validated A3 Step2 encoder with Colab quickstart
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"""Install the bundled wheel, then load the public A3 encoder."""
from grasp import GRASPEncoder
encoder=GRASPEncoder.from_pretrained("caithmac/GRASP-A3")
vectors=encoder.encode(["CCO","N[C@@H](C)C(=O)O"])
assert vectors.shape==(2,768)
print(vectors.shape)