Search Results
MoleculeCLA: Rethinking Molecular Benchmark via ...
arXiv
https://web3.arxiv.org › abs
arXiv
https://web3.arxiv.org › abs
by S Feng2024 — Abstract:Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery.
MoleculeCLA: Rethinking Molecular Benchmark via ...
OpenReview
https://openreview.net › forum
OpenReview
https://openreview.net › forum
by S Feng — In this paper, the authors construct MoleculeCLA, a large-scale moleuclar representation dataset using the computational method Glide. MoleculeCLA containing ...
MoleculeCLA Dataset
Papers With Code
https://paperswithcode.com › dataset › moleculecla
Papers With Code
https://paperswithcode.com › dataset › moleculecla
We present MoleculeCLA: a large-scale dataset consisting of approximately 140,000 small molecules derived from computational ligand-target binding analysis, ...
MoleculeCLA: Rethinking Molecular Benchmark via ...
AIModels.fyi
https://www.aimodels.fyi › papers › arxiv › moleculecla-...
AIModels.fyi
https://www.aimodels.fyi › papers › arxiv › moleculecla-...
The paper describes the creation of a new dataset for training and evaluating machine learning models that work with chemical molecules. These ...
AI Papers
X · SciFi
5 months ago
X · SciFi
5 months ago
MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis. https://arxiv.org/abs/2406.17797.
Zhenger959/MoleculeCLA
GitHub
https://github.com › Zhenger959 › MoleculeCLA
GitHub
https://github.com › Zhenger959 › MoleculeCLA
We present MoleculeCLA: a large-scale dataset consisting of approximately 140,000 small molecules derived from computational ligand-target binding analysis, ...
Yinjun Jia
Papers With Code
https://paperswithcode.com › author › yinjun-jia
Papers With Code
https://paperswithcode.com › author › yinjun-jia
MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis · 1 code implementation • 13 Jun 2024 • Shikun Feng, Jiaxin Zheng ...
Shikun Feng
GitHub
https://fengshikun.github.io
GitHub
https://fengshikun.github.io
arXiv. MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis. Shikun Feng, Jiaxin Zheng, Yinjun Jia, and 4 more authors.
Jiaxin Zheng - Google 学术搜索
Google Scholar
https://scholar.google.com › citati...
Google Scholar
https://scholar.google.com › citati...
MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis. S Feng, J Zheng, Y Jia, Y Huang, F Zhou, WY Ma, Y Lan. arXiv ...
Jiaxin Zheng
OpenReview
https://openreview.net › profile
OpenReview
https://openreview.net › profile
MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis · Shikun Feng, Jiaxin Zheng, Yinjun Jia, Yanwen ...