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68

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Active filters: cheminformatics

nvidia/NV-KERMT-70M-v2

Graph Machine Learning • Updated 8 days ago • 6

Hari5115/molecular-odor-predictor

Updated 25 days ago • 1

gokceuludogan/WarmMolGenOne

Updated Aug 14, 2022 • 4

gokceuludogan/WarmMolGenTwo

Updated Aug 14, 2022 • 2

gokceuludogan/ChemBERTaLM

Text Generation • Updated Aug 14, 2022 • 1k • 4

gbyuvd/synthaccess-chemselfies

Text Classification • 11.1M • Updated Aug 11, 2024 • 4 • 2

khanfs/ChemSolubilityBERTa

Text Classification • 44.1M • Updated Sep 25, 2024 • 25 • 2

ailab-bio/PROTAC-Splitter-Trial-18-rand-smiles

0.1B • Updated Jan 24, 2025 • 3

ailab-bio/PROTAC-Splitter-Trial-15-rand-smiles

0.1B • Updated Jan 24, 2025 • 3

ailab-bio/PROTAC-Splitter-Trial-11-rand-smiles

0.1B • Updated Jan 24, 2025 • 9

ailab-bio/PROTAC-Splitter-Trial-15

0.1B • Updated Jan 24, 2025 • 4

Derify/ChemBERTa_augmented_pubchem_13m

Fill-Mask • 44M • Updated Aug 29, 2025 • 349 • 1

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine_restarts-opt25

0.1B • Updated Mar 8, 2025 • 4

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine-opt25

0.1B • Updated Mar 8, 2025 • 5

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine_restarts-opt25-rand-smiles

0.1B • Updated Mar 8, 2025 • 1

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine-opt25-rand-smiles

0.1B • Updated Mar 8, 2025 • 6

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_reduce-opt25-rand-smiles

0.1B • Updated Mar 8, 2025 • 2

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_reduce-rand-smiles

0.1B • Updated Mar 9, 2025 • 5

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine_restarts

0.1B • Updated Mar 9, 2025 • 5

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine_restarts-rand-smiles

0.1B • Updated Mar 9, 2025 • 2

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine

0.1B • Updated Mar 9, 2025 • 3

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_cosine-rand-smiles

0.1B • Updated Mar 9, 2025 • 4

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_reduce-rand-smiles-train-0.25

0.1B • Updated Mar 14, 2025 • 2

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_reduce-rand-smiles-train-0.75

0.1B • Updated Mar 14, 2025 • 2

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_reduce-rand-smiles-train-0.5

0.1B • Updated Mar 14, 2025 • 3

ailab-bio/PROTAC-Splitter-EncoderDecoder-lr_reduce-opt25

0.1B • Updated Mar 19, 2025 • 2

Membrizard/ml_conformer_generator

Updated Mar 15 • 2

DeepChem/ChemBERTa-100M-MLM

Fill-Mask • 92.1M • Updated Aug 18, 2025 • 19.1k • • 5

sinxcosx11/synthesis_condition_temperaturepredict

Updated Jun 1, 2025

DeepChem/MoLFormer-c3-1.1B

Fill-Mask • 46.8M • Updated Feb 25 • 4.54k • 7