Small-molecule and polymer datasets. Start from molecular-datasets-index. https://liugangcode.github.io/molecular-dataset-hub/
Gang Liu
liuganghuggingface
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Recent Activity
updated a dataset 11 days ago
liuganghuggingface/molecular-datasets-index updated a dataset 11 days ago
liuganghuggingface/moldata-welqrate updated a dataset 11 days ago
liuganghuggingface/moldata-toxcastOrganizations
models 10
liuganghuggingface/DemoDiff-0.7B
Graph Machine Learning • Updated • 28
liuganghuggingface/polymer-prediction-gas-models
Updated
liuganghuggingface/Llamole-Llama-3.1-8B-Instruct-Adapter
Graph Machine Learning • Updated • 13
liuganghuggingface/Llamole-Pretrained-GraphDiT
Graph Machine Learning • Updated • 38
liuganghuggingface/Llamole-Pretrained-GNNPredictor
Graph Machine Learning • Updated • 43
liuganghuggingface/Llamole-Pretrained-GraphEncoder
Graph Machine Learning • Updated • 32
liuganghuggingface/Llamole-Qwen2-7B-Instruct-Adapter
Graph Machine Learning • Updated • 39 • 1
liuganghuggingface/Llamole-Mistral-7B-Instruct-v0.3-Adapter
Graph Machine Learning • Updated • 53 • 1
liuganghuggingface/molecular_design_evaluator
Updated
liuganghuggingface/InfoAlign-Pretrained
Graph Machine Learning • Updated • 34 • 1
datasets 248
liuganghuggingface/molecular-datasets-index
Viewer • Updated • 11.9M • 573
liuganghuggingface/moldata-welqrate
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liuganghuggingface/moldata-toxcast
Viewer • Updated • 8.58k • 174 • 1
liuganghuggingface/moldata-pcqm4mv2
Viewer • Updated • 3.75M • 325
liuganghuggingface/moldata-pcba_128
Viewer • Updated • 438k • 123
liuganghuggingface/moldata-opera
Viewer • Updated • 140k • 174
liuganghuggingface/moldata-cara
Viewer • Updated • 2.42M • 327
liuganghuggingface/moldata-marcel
Viewer • Updated • 74.8k • 68
liuganghuggingface/moldata-chembl_37
Viewer • Updated • 2.9M • 191
liuganghuggingface/moldata-butkiewicz
Viewer • Updated • 2.01M • 178