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79 Results
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Workshop
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Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning Sagar Srinivas Sakhinana · Venkataramana Runkana |
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Poster
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Thu 15:00 |
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design AkshatKumar Nigam · Robert Pollice · Gary Tom · Kjell Jorner · John Willes · Luca Thiede · Anshul Kundaje · Alan Aspuru-Guzik |
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Workshop
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MoleCLUEs: Molecular Conformers Maximally In-Distribution for Predictive Models Michael Maser · Nataša Tagasovska · Jae Hyeon Lee · Andrew Watkins |
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Workshop
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Analysis of cellular phenotypes with image-based generative models Ruben Fonnegra · Mohammad Vali Sanian · Zitong Sam Chen · Lassi Paavolainen · Juan C. Caicedo |
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Workshop
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Analysis of cellular phenotypes with image-based generative models Ruben Fonnegra · Mohammad Vali Sanian · Zitong Sam Chen · Lassi Paavolainen · Juan C. Caicedo |
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Workshop
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Leveraging expert feedback to align proxy and ground truth rewards in goal-oriented molecular generation Julien Martinelli · Yasmine Nahal · Duong Lê · Ola Engkvist · Samuel Kaski |
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Workshop
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Towards equilibrium molecular conformation generation with GFlowNets Alexandra Volokhova · Michał Koziarski · Alex Hernandez-Garcia · Chenghao Liu · Santiago Miret · Pablo Lemos · Luca Thiede · Zichao Yan · Alan Aspuru-Guzik · Yoshua Bengio |