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Tuan Le
ORCID
Publication Activity (10 Years)
Years Active: 2020-2024
Publications (10 Years): 4
Top Topics
Convolutional Neural Network
Drug Discovery
Heavy Metals
Small Molecule
Top Venues
Chemical science
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This page only lists publications with an associated author ORCID identifier.
Publications
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Julian Cremer
,
Tuan Le
,
Frank Noé
,
Djork-Arné Clevert
,
Kristof T Schütt
PILOT: equivariant diffusion for pocket-conditioned de novo ligand generation with multi-objective guidance via importance sampling.
Chemical science
(2024)
Julian Cremer
,
Tuan Le
,
Frank Noé
,
Djork-Arné Clevert
,
Kristof T Schütt
PILOT: equivariant diffusion for pocket-conditioned de novo ligand generation with multi-objective guidance via importance sampling.
Chemical science
(2024)
Djork-Arné Clevert
,
Tuan Le
,
Robin Winter
,
Floriane Montanari
Img2Mol - accurate SMILES recognition from molecular graphical depictions.
Chemical science
12 (42) (2021)
Tuan Le
,
Robin Winter
,
Frank Noé
,
Djork-Arné Clevert
Neuraldecipher - reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures.
Chemical science
11 (38) (2020)