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Victor Schmidt

A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems

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Dec 12, 2023
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On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions

Oct 10, 2023
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Crystal-GFN: sampling crystals with desirable properties and constraints

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Oct 07, 2023
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torchgfn: A PyTorch GFlowNet library

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May 24, 2023
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FAENet: Frame Averaging Equivariant GNN for Materials Modeling

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Apr 28, 2023
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PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design

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Nov 22, 2022
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ClimateGAN: Raising Climate Change Awareness by Generating Images of Floods

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Oct 06, 2021
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COVI-AgentSim: an Agent-based Model for Evaluating Methods of Digital Contact Tracing

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Oct 30, 2020
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Predicting Infectiousness for Proactive Contact Tracing

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Oct 23, 2020
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Image-to-image Mapping with Many Domains by Sparse Attribute Transfer

Jun 23, 2020
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