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开发机构 DeepGraphLearning / TorchDrug contributors →
Machine-learning toolbox for molecular graphs and drug research. Framework compatibility and dataset quality require review; a library does not provide validated drug candidates.
Machine-learning toolbox for molecular graphs and drug research. Framework compatibility and dataset quality require review; a library does not provide validated drug candidates.
信息已比对权威文献或官方白皮书；非实验性跑分。 权威出处 · 最后核对: 16/09/2026, 17:33:40 UTC
Use this citation format when referencing TorchDrug in scientific publications and benchmark papers.
@software{torchdrug_2026,
title = {{TorchDrug}},
author = {{DeepGraphLearning / TorchDrug contributors}},
year = {2026},
url = {https://github.com/DeepGraphLearning/torchdrug},
note = {Indexed on aibioatlas - AI for Biology and Drug Discovery}
}Live scientific citations queried from Europe PMC and PubMed for TorchDrug.
Missing values mean the catalog has no recorded information. They do not mean a feature is absent.
No software–hardware integration has been verified for this entry yet. Explore documented research workflows.
TorchDrug Scientific Architecture · Credit: DeepGraphLearning / TorchDrug contributors · Open original ↗
Research and editorial use Source & attribution ↗ License ↗
同一科学领域的同类算法与工具。
Classical/statistical scientific method · Confirm distribution and exact release
HMMER 3 — sequence-homology-search / protein-domain-search
Research / method authors
Classical/statistical scientific method · Confirm distribution and exact release
MMseqs2 — sequence-homology-search / protein-sequence-search
Research / method authors
Classical/statistical scientific method · Confirm distribution and exact release
NCBI BLAST+ — sequence-homology-search / protein-sequence-search
Research / method authors
Classical/statistical scientific method · Confirm distribution and exact release
Rosetta macromolecular modeling suite — protein-structure-refinement / classical-protein-design
Research / method authors
Mila and Valence Discovery Release TorchDrug 0.3 with Geometric Deep Learning Benchmarks
31 May 2026
See project access and maintenance status
费用根据官方最近一次公布的说明整理。请在官方网站确认最新报价与学术折扣。
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