Multi-Scale Representation Learning for Protein Fitness PredictionZuobai ZhangPascal Notinet al.2024NeurIPS 2024
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted MoleculesLucy VostVijil Vijilet al.2024NeurIPS 2024
Learning to Optimize Molecules with a Chemical Language ModelJerret RossSamuel Hoffmanet al.2024NeurIPS 2024
Efficient Equivariant Transfer Learning from Pretrained ModelsSourya BasuPulkit Katdareet al.2023NeurIPS 2023
Characterizing pre-trained and task-adapted molecular representationsCelia CintasPayel Daset al.2023NeurIPS 2023
Equi-Tuning: Group Equivariant Fine-Tuning of Pretrained ModelsSourya BasuPrasanna Sattigeriet al.2023AAAI 2023
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)Matteo ManicaJoris Cadowet al.2022MRS Fall Meeting 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)Matteo ManicaJoris Cadowet al.2022ACS Fall 2022
Protein Representation Learning by Geometric Structure PretrainingZuobai ZhangMinghao Xuet al.2022ICML 2022