Hugging Face
Models
Datasets
Spaces
Posts
Docs
Enterprise
Pricing
Log In
Sign Up
Datasets:
jablonkagroup
/
chempile-lift-merged
like
0
Follow
Lab of Kevin Jablonka at Uni Jena
15
Dataset card
Files
Files and versions
Community
Dataset Viewer
Subset (134)
BACE
·
15.1k rows
⏳ BACE (15.1k rows)
⏳ BBBP (14.4k rows)
⏳ MUV_466 (74.2k rows)
⏳ MUV_548
⏳ MUV_600 (73.6k rows)
⏳ MUV_644 (73.1k rows)
⏳ MUV_652
⏳ MUV_689
⏳ MUV_692 (73.2k rows)
⏳ MUV_712 (72.1k rows)
⏳ MUV_713
⏳ MUV_733
⏳ MUV_737
⏳ MUV_810 (73.2k rows)
⏳ MUV_832
⏳ MUV_846
⏳ MUV_852 (73.3k rows)
⏳ MUV_858 (73.9k rows)
⏳ MUV_859
⏳ RedDB
⏳ SIDER
⏳ ames_mutagenicity
⏳ bc5chem (68.8k rows)
⏳ bc5disease (68.8k rows)
⏳ bicerano_dataset
⏳ bio_ner (124k rows)
⏳ bio_ner_10 (566 rows)
⏳ bio_ner_12 (236 rows)
⏳ bio_ner_13 (142 rows)
⏳ bio_ner_14 (106 rows)
⏳ bio_ner_16 (45 rows)
⏳ bio_ner_17 (42 rows)
⏳ bio_ner_18 (40 rows)
⏳ bio_ner_19
⏳ bio_ner_2 (69.2k rows)
⏳ bio_ner_20 (12 rows)
⏳ bio_ner_22 (14 rows)
⏳ bio_ner_23 (8 rows)
⏳ bio_ner_24 (13 rows)
⏳ bio_ner_3 (35.2k rows)
⏳ bio_ner_5 (10.2k rows)
⏳ bio_ner_6
⏳ bio_ner_7 (2.98k rows)
⏳ bio_ner_8 (1.8k rows)
⏳ bio_ner_9
⏳ bioavailability_ma_et_al (12.8k rows)
⏳ block_polymers_morphology (22.2k rows)
⏳ blood_brain_barrier_martins_et_al (46.7k rows)
⏳ buchwald_hartwig (47.4k rows)
⏳ caco2_wang (17.3k rows)
⏳ carcinogens (5.6k rows)
⏳ cav3_t-type_calcium_channels_butkiewicz (1.92M rows)
⏳ chebi_20 (330k rows)
⏳ chemdner
⏳ choline_transporter_butkiewicz
⏳ clearance_astrazeneca (6.07k rows)
⏳ clintox (28.1k rows)
⏳ core_mof_no_topo (41.6k rows)
⏳ cyp2c9_substrate_carbonmangels
⏳ cyp2d6_substrate_carbonmangels
⏳ cyp3a4_substrate_carbonmangels (12.7k rows)
⏳ cyp_p450_1a2_inhibition_veith_et_al (252k rows)
⏳ cyp_p450_2c19_inhibition_veith_et_al
⏳ cyp_p450_2c9_inhibition_veith_et_al (242k rows)
⏳ cyp_p450_2d6_inhibition_veith_et_al
⏳ cyp_p450_3a4_inhibition_veith_et_al (247k rows)
⏳ drug_induced_liver_injury (9.03k rows)
⏳ drugchat_liang_zhang_et_al (717k rows)
⏳ flashpoint
⏳ formation_energies
⏳ freesolv (20.5k rows)
⏳ half_life_obach (12.7k rows)
⏳ herg_blockers (12.4k rows)
⏳ herg_central_at_10uM
⏳ herg_central_at_1uM
⏳ herg_central_inhib (5.83M rows)
⏳ herg_karim_et_al
⏳ hiv
⏳ human_intestinal_absorption
⏳ kcnq2_potassium_channel_butkiewicz (5.75M rows)
⏳ ld50_catmos (63.2k rows)
⏳ ld50_zhu (140k rows)
⏳ lipophilicity
⏳ m1_muscarinic_receptor_agonists_butkiewicz (1.17M rows)
⏳ m1_muscarinic_receptor_antagonists_butkiewicz (1.17M rows)
⏳ melting_points (4.12M rows)
⏳ mofdscribe
⏳ mona
⏳ mp_descriptions (705k rows)
⏳ mp_self_supervised (1.44M rows)
⏳ ncbi_disease
⏳ nlmchem
⏳ nomad_structure (12.7M rows)
⏳ nr_ahr_tox21 (138k rows)
⏳ nr_ar_lbd_tox21
⏳ nr_ar_tox21 (153k rows)
⏳ nr_aromatase_tox21
⏳ nr_er_tox21
⏳ nr_ppar_gamma_tox21 (135k rows)
⏳ odd_one_out (935k rows)
⏳ oqmd
⏳ ord_predictions
⏳ ord_rxn_smiles_procedure (384k rows)
⏳ ord_rxn_smiles_yield_pred (145 rows)
⏳ ord_steps_yield (232 rows)
⏳ orexin1_receptor_butkiewicz (654k rows)
⏳ pampa_ncats
⏳ peptides_hemolytic
⏳ peptides_nonfouling
⏳ peptides_soluble
⏳ perovskite_db
⏳ potassium_ion_channel_kir2_1_butkiewicz
⏳ qm8
⏳ qm9
⏳ qmof_gcmc
⏳ qmof_quantum
⏳ rdkit_features
⏳ rhea_db_masked
⏳ rhea_db_predictions
⏳ sarscov2_3clpro_diamond
⏳ sarscov2_vitro_touret
⏳ sr_are_tox21
⏳ sr_atad5_tox21
⏳ sr_hse_tox21
⏳ sr_mmp_tox21
⏳ sr_p53_tox21
⏳ uniprot_binding_single
⏳ uniprot_binding_sites_multiple
⏳ uniprot_organisms
⏳ uniprot_reactions
⏳ uniprot_sentences
⏳ uspto
⏳ uspto_yield
⏳ volume_of_distribution_at_steady_state_lombardo_et_al
The dataset viewer should be available soon. Please
retry later
.
README.md exists but content is empty.
Downloads last month
0
Use this dataset
Size of downloaded dataset files:
12.1 GB
Size of the auto-converted Parquet files:
12.1 GB
Number of rows:
40,462,561
Collection including
jablonkagroup/chempile-lift-merged
The ChemPile
Collection
8 items
•
Updated
about 16 hours ago