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Workshop
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Fri 4:30
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Generative acceleration of molecular dynamics simulations for solid-state electrolytes
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Workshop
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Fri 1:20
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Improving Fragment-Based Deep Molecular Generative Models
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Workshop
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Equivariant Transformer Forcefields for Molecular Conformer Generation
Rui Feng · Binghong Chen · Chao Zhang
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Workshop
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Recurrent VAE with Gaussian Process Decoders for De novo Molecular Generation
Vidhi Lalchand · David Lines · Neil Lawrence
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Workshop
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Efficient 3D Molecular Generation with Flow Matching and Scale Optimal Transport
Ross Irwin · Alessandro Tibo · Jon Paul Janet · Simon Olsson
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Workshop
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Sat 1:35
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Contributed: Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space
Mohamed Amine Ketata
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Workshop
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Navigating Chemical Space with Latent Flows
Guanghao Wei · Yining Huang · Chenru Duan · Yue Song · Yuanqi Du
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Workshop
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Non-Differentiable Diffusion Guidance for Improved Molecular Geometry
Yuchen Shen · Chenhao Zhang · Chenghui Zhou · Sijie Fu · Newell Washburn · Barnabás Póczos
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Workshop
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MolGene-E: Inverse Molecular Design to Modulate Single Cell Transcriptomics
Rahul Ohlan · Raswanth Murugan · Li Xie · Mohammadsadeq Mottaqi · Shuo Zhang · Lei Xie
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Poster
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Tue 2:30
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Data-Efficient Molecular Generation with Hierarchical Textual Inversion
Seojin Kim · Jaehyun Nam · Sihyun Yu · Younghoon Shin · Jinwoo Shin
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Workshop
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Energy-Free Guidance of Geometric Diffusion Models for 3D Molecule Inverse Design
Aksh Garg · Jiaqi Han · Sanjay Nagaraj · Minkai Xu · Stefano Ermon
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Workshop
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Energy-Free Guidance of Geometric Diffusion Models for 3D Molecule Inverse Design
Sanjay Nagaraj · Aksh Garg · Jiaqi Han · Minkai Xu · Stefano Ermon
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