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shepherd

Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 oral]

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2

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3mo ago

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Update README with ICLR citation
1707fddkentoabeywardane3mo ago
Merge pull request #25 from coleygroup/dev
0eabdc3Kento Abeywardane5mo ago
Patch issue with load_model() with torch >=v2.6.0. Set weights_only=False
89d47ackentoabeywardane5mo ago
Merge pull request #23 from coleygroup/dev
a660d05Kento Abeywardane7mo ago
Update installation instructions for PyTorch 6.0
31cde8bkentoabeywardane7mo ago

Merge pull request #22 from coleygroup/dev

84c1cf4Kento Abeywardane7mo ago

3d668fakentoabeywardane7mo ago

Fix x2_decoder_encoder final_block_channels for gdb_x2 model

c0c3b32kentoabeywardane7mo ago

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kentoabeywardane