Published July 13, 2023 | Version 1.0

Graph Positional and Structural Encodings (model weights and precomputed encodings)

  • 1. Michigan State University
  • 2. Université de Montréal
  • 3. Isomorphic Labs

Description

Model weights for pre-trained GPSE model and selected pre-computed GPSE encodings using the model pre-trained on MolPCBA

 

Files

OGB-ogbg-molbace_1.0.zip

Files (12.4 GB)

Name Size
md5:6136c8f1d967ea2fca4e39b4d3b0c8b6
266.2 MB Download
md5:27e2b55d86bb942534df9ea6b0ba34b1
266.2 MB Download
md5:194a48899926ed63f802b9baeec968f1
266.2 MB Download
md5:d711bc6e99283ce5a6deba783aca0e80
266.2 MB Download
md5:4b5f8e9e0053a9ed4816dbdc0d9b348e
266.2 MB Download
md5:71e8b2aede4eae35cbbaed4580caa17f
91.1 MB Preview Download
md5:dd1602b3657d3d005144f917a09c3de3
86.6 MB Preview Download
md5:dc30c06b0699a6f3397d1a1cfb54840c
1.8 GB Preview Download
md5:122a8a7aab21ea031fe17c5b3fb994a9
84.9 MB Preview Download
md5:1610c33216b1a97adb7c3ba005e5d6d3
256.6 MB Preview Download
md5:af963982a2ca1ba398a5909df5e1d919
284.4 MB Preview Download
md5:36992fd7551a295728d3d49bab88f1ff
4.0 GB Preview Download
md5:5186172e7a7d2ef1f3d2c0bd7facecae
4.0 GB Preview Download
md5:c020274022eb29a51d39954a6ef9df0e
492.3 MB Preview Download