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Pull requests: DeepGraphLearning/torchdrug

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Pull requests list

Added GuacaMol Dataset to torchdrug
#59 opened Dec 22, 2021 by adiv5 Loading… updated Apr 1, 2023
Use class-resolver for readouts and enable choosing MaxReadout
#68 opened Feb 1, 2022 by cthoyt Loading… updated Apr 1, 2023
Enhance feature extraction
#104 opened May 31, 2022 by adrianomartinelli Loading… updated Apr 1, 2023
Fixed installation from source (Python 3.8)
#113 opened Jul 18, 2022 by ojeda-e Loading… updated Apr 1, 2023
3 tasks done
Added Aim experimentation Tracking
#123 opened Aug 13, 2022 by osoblanco Loading… updated Apr 1, 2023
Add to use molecule 3D conformer
#45 opened Oct 3, 2021 by OPAYA Loading… updated Apr 1, 2023
Better documentation for variadic_sum()
#215 opened Jul 22, 2023 by zoryzhang Loading… updated Jul 22, 2023
Fixed a typo in dataset.py
#217 opened Jul 28, 2023 by boxorange Loading… updated Jul 28, 2023
Added path ATen/native in spmm.h and rspmm.h
#228 opened Oct 17, 2023 by anilakash Loading… updated Oct 31, 2023
build(conda): Switch from bio-embeddings-esm to fair-esm
#220 opened Aug 16, 2023 by rymndhng Loading… updated Nov 4, 2023
Fix: Corrected syntax in PyTorch version retrieval command
#251 opened Jul 1, 2024 by 950288 Loading… updated Jul 1, 2024
#236 Issue in atom2valence Solved
#254 opened Aug 22, 2024 by Shashank1202 Loading… updated Aug 22, 2024
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