3 skills found
theochem / ProcrustesPython library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
yikunpku / AtomasICLR 2025: We propose Atomas, a hierarchical molecular representation learning framework that jointly learns representations from SMILES strings and text. We design a Hierarchical Adaptive Alignment model to automatically learn the fine-grained fragment correspondence between two modalities and align these representations at three semantic levels.
SZU-ADDG / TrioToward Closed-loop Molecular Discovery via Language Model, Property Alignment and Strategic Search
