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11 Results
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Workshop
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MolEval: An Evaluation Toolkit for Molecular Embeddings via LLMs Shaghayegh Sadeghi · Ali Forooghi · Jianguo Lu · Alioune Ngom |
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Affinity Workshop
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Towards Learning Activity Cliff-Aware Molecular Representations César Miguel Valdez Córdova |
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Workshop
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A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction Victor Yukio Shirasuna · Eduardo Soares · Emilio Vital Brazil · Karen Fiorella Gutierrez · Renato Cerqueira · Seiji Takeda · Akihiro Kishimoto |
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Workshop
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Scalable Multi-Task Transfer Learning for Molecular Property Prediction Chanhui Lee · Dae-Woong Jeong · Sung Moon Ko · Sumin Lee · Hyunseung Kim · Soorin Yim · Sehui Han · Sungwoong Kim · Sungbin Lim |
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Workshop
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Multi-task Extension of Geometrically Aligned Transfer Encoder Sung Moon Ko · Sumin Lee · Dae-Woong Jeong · Hyunseung Kim · Chanhui Lee · Soorin Yim · Sehui Han |
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Workshop
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Graph Multi-Similarity Learning for Molecular Property Prediction Hao Xu · Zhengyang Zhou · Pengyu Hong |
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Workshop
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Path Complex Neural Network for Molecular Property Prediction Longlong Li · Xiang LIU · Guanghui Wang · Yu Guang Wang · Kelin Xia |
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Workshop
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Decoding Chemical Predictions: Group Contribution Methods for XAI Gabriel Cathoud · Vignesh Ram Somnath · Luis Macedo · Kjell Jorner |
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Workshop
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Task Addition in Multi-Task Learning by Geometrical Alignment Soorin Yim · Dae-Woong Jeong · Sung Moon Ko · Sumin Lee · Hyunseung Kim · Chanhui Lee · Sehui Han |
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Workshop
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On the Effectiveness of Quantum Chemistry Pre-training for Pharmacological Property Prediction Arun Raja · Hongtao Zhao · Christian Tyrchan · Eva Nittinger · Michael Bronstein · Charlotte Deane · Garrett Morris |
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Workshop
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Self-supervised learning for crystal property prediction via denoising Alexander New · Nam Q. Le · Michael Pekala · Christopher Stiles |