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Making the Digital Lab a Reality at Novartis with ZONTAL

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Ensuring Scientific Reproducibility with a Sustainable FAIR Data Platform

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Data Centricity: Key for the Successful Digital Journey Towards a Digital Lab

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Solving Inverse Problems with Conditional Diffusion Models

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Coarse-Grained Molecular Dynamics with Geometric Machine Learning

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SELFIES and the Future of Molecular String Representations

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Machine Learning for Drug Discovery at ICLR 2022

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Fragment Ligand Generation

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Protein Representation Learning by Geometric Structure Pretraining

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A New State-of-the-Art Model for Molecular Conformer Generation

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Deep Learning Methods for Designing Proteins Scaffolding Functional Sites

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Design of Protein Binding Proteins from Target Structure Alone

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