chem_mat_data/.env,sha256=vNtwoeNXGwl4RekUKGw6OYZAST3_PTkWo52UVI1Jdks,180
chem_mat_data/ChemMatData_logo_final.png,sha256=oBIRQro1IrRzUUGQ-662fkjvzeLB33kvASBmuG6JHSI,187517
chem_mat_data/VERSION,sha256=6R3uO0EpIuVteI11fNMOqq6SsIRjI6vbme61i5z-MME,6
chem_mat_data/__init__.py,sha256=YI-zSrKSMqZS3CgtPogDQM9dED_ByCuHk_aRBUEq6pA,1291
chem_mat_data/_typing.py,sha256=b_sM-a0DT7en2hvHdwl1OUYu3RMfnTrOhQcfzkIGS3k,321
chem_mat_data/cache.py,sha256=lV1hg-NG-zFDHGPbbtyO8LVmdF90i8SrMX75XWQ88u4,11733
chem_mat_data/cli.py,sha256=NZH2RF95t84r_mXKlkBOvm31U-uBZlvJEuGORXQiCOk,83014
chem_mat_data/config.py,sha256=GJQk1ULjvYehBea1dTWiugFVE6IxDP9DkNUkvjqjYSo,9599
chem_mat_data/connectors.py,sha256=AAXZRFbkahW_VtN3fodjE1y1-2fUfCB44m8IoyStaM0,10407
chem_mat_data/data.py,sha256=-hAlDiVGjjT-EprI66a5IVxLYqo6RhuBVAUsXrH-bs8,42103
chem_mat_data/dataset.py,sha256=az5R-pQr6N9pubLL-_Xs8VRkiZ9ASYuyMzA0zm95gMQ,53329
chem_mat_data/graph.py,sha256=Vhf2YOLC4kDDyWs42lxWGs7TVPtaIJZ7racpK7dHe7g,5879
chem_mat_data/main.py,sha256=mBh5Ba5Lr1J3bLMIRqa7JMz66WeE6ojZGIa_Xcfatd4,24142
chem_mat_data/manage.py,sha256=ABwpqdGToI_cN3dPHoOY5PYA00juVK-R6TGgrSAEfYU,129663
chem_mat_data/metadata.yml,sha256=aPcKjCOMboT1hYZrPzlPIua8magTRpwd_hmjjfmJF4A,80796
chem_mat_data/processing.py,sha256=TmZhCRs-PDmL6Ow1tRYaqeESZJ0VorWZyIBhCuNwL-A,55954
chem_mat_data/testing.py,sha256=QKldJhAeEkL_kaEA80cCX6Z9-pmB2hpxUgIyMznuxkI,8987
chem_mat_data/tmc.py,sha256=d2mHXDWUsVR_EBsnYYpCPQa0rFohTRRNDORQVympQHo,4445
chem_mat_data/tmc_processing.py,sha256=hxuBlqpff-mDc2WFvSm8nyPUK2xM-0OwpW6fglJepCw,42939
chem_mat_data/utils.py,sha256=04udUBCoxKl6XnyxsEuPgoHjyaJq8iF3MVp4eu45IhA,9949
chem_mat_data/visualization.py,sha256=NY04J6jPo_eNoyf2Ayo2tKQUQUovsT0iTz4jO4CU8eA,10065
chem_mat_data/web.py,sha256=c8VDIF750rjYz_iRFfy16_kx71Xee2D0qyPAVwqd788,24441
chem_mat_data/agent/README.md,sha256=OOc-ujCqMkSm3jb9KD_V2tZcqzdqsBzGc8yqBNV_LqQ,2330
chem_mat_data/agent/__init__.py,sha256=8aL5QZBzK6iquVFUfTtGrd690Rg1EunSBIQZxxr0GM8,313
chem_mat_data/agent/backend.py,sha256=gbQz1nqzErEdIXir9lzp7g4blCVRV5Nxe1UPakC-IG8,10677
chem_mat_data/agent/extraction_agent.py,sha256=6U2Wz5NFIFfmx0N77U0yz5egysI2icQam57_r3yBbC4,11930
chem_mat_data/agent/opencode_client.py,sha256=3Y6_pgURhyGkgRbw2iBmG8TwXzSu_lG5wTUp4aCUIlA,1977
chem_mat_data/agent/plugins.py,sha256=LY8-FhE2N-K07W3z-85dhLAubi74zd3G6WWTxLG2mqc,12601
chem_mat_data/agent/prompts.py,sha256=zobEiLO_mkkOgdIL7YQQyHgLDo4fwYgORZXitWoU0_Q,34357
chem_mat_data/agent/example_scripts/create_graph_datasets__compas_1x.py,sha256=kA9weA2PBToBcsq43e0lNIgHdzuhMozcDgNv5sZKduQ,5278
chem_mat_data/agent/example_scripts/create_graph_datasets__open_melting_point.py,sha256=Ufb6Uvld5u1gmIRGOL9D-bAJqelRqS1WUmlOYpgIvjM,3604
chem_mat_data/agent/example_scripts/create_graph_datasets__tm_bio.py,sha256=_foOPGAvahHN0mHIHXmlVs8lBzAZ3e-JU8UXHJ8mr2M,14621
chem_mat_data/discovery/__init__.py,sha256=cAaqh9LrHQq8edHy3xKWASQxp8oYd_gCvGCfWfB-WSo,1391
chem_mat_data/discovery/classifier.py,sha256=s-t8YMMRrZdXKJ0fG7RR8sKKPAT_8sAWV-Pm_wQinZU,15592
chem_mat_data/discovery/io.py,sha256=ltCO_8B_WE60fXyOkMzgNQvkBCT_vGRYYm31RTnapH4,9179
chem_mat_data/discovery/openalex.py,sha256=Kmkvb8QDUJ6mZLmqZmJXSaNOFmFXYeiCR0DB-usjIF4,10739
chem_mat_data/examples/00_quickstart.ipynb,sha256=q8Wsn-eZcma8G43dPwoNgiO6Dv0ahFISbmFnUzJNPQs,78419
chem_mat_data/examples/01_gnn_demo.ipynb,sha256=jMUo65iy6B-kmiD-f_3JLXuEFr35WF91gzctpiwC8Yo,175618
chem_mat_data/scripts/README.rst,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
chem_mat_data/scripts/create_graph_datasets.py,sha256=WaXbQQNwLDpHfmXUzaUx6-c0GGS_HWUgspp6kQn86FE,20075
chem_mat_data/scripts/create_graph_datasets__ames.py,sha256=sJT6N-uH2IH0KD0gGv_kT78qBMOW7m9z6h4WbQuCR7o,1673
chem_mat_data/scripts/create_graph_datasets__aqsoldb.py,sha256=4o3xFEbdt9Y1C6KF3LrenUIf_eURuiBoj3WkfI9O6IA,1682
chem_mat_data/scripts/create_graph_datasets__bace_cls.py,sha256=pZzvkrAcymOjaoQV0Qd_e7i7NLoDkY8T9w5oRppe0Jo,4967
chem_mat_data/scripts/create_graph_datasets__bace_reg.py,sha256=NanUUXDBgX8TY1C_GUcltDFQlM8NHJvF4tzx-UnFO7o,4944
chem_mat_data/scripts/create_graph_datasets__bbbp.py,sha256=62pMMDnG96zRtzGzP_DlRltW_D_pcK2cXuC-NiJXuJA,6815
chem_mat_data/scripts/create_graph_datasets__beet.py,sha256=LLJQAoDzRCzsCFToCfB2EGykrvgI2r5vaOffVmwaVMQ,2417
chem_mat_data/scripts/create_graph_datasets__bl_chembl_cls.py,sha256=A6lorKrXcbOatTSuiyq5v4McsUJlhNlN8gedILzRro8,17423
chem_mat_data/scripts/create_graph_datasets__bl_chembl_reg.py,sha256=Aasj3ARzaRD65Ggj72utLkN5LQWppE3yaw8aQg64HaE,17142
chem_mat_data/scripts/create_graph_datasets__clintox.py,sha256=gmYPgj0IdOiowBzqT51sZDWWv0ClU3PV-dRN187wVrA,3873
chem_mat_data/scripts/create_graph_datasets__compas_1x.py,sha256=kA9weA2PBToBcsq43e0lNIgHdzuhMozcDgNv5sZKduQ,5278
chem_mat_data/scripts/create_graph_datasets__compas_2x.py,sha256=Izm2wgW3kzOwx-uk5Sle502LclFtRw15qounXl8CIF4,6203
chem_mat_data/scripts/create_graph_datasets__compas_3x.py,sha256=kdocHldBI7KNOejEkX9Nq8DEmiSZGjnrP6o4rPm9nXI,5833
chem_mat_data/scripts/create_graph_datasets__dpp4.py,sha256=RWzv3AMyJAcgz2l_D6I4-i6DYpUa7pqIsKnczpF-yVk,2522
chem_mat_data/scripts/create_graph_datasets__dud_e.py,sha256=nbuZ0DWkfTwFKhkHhxct0Li073JeGSmu9T_eyUkbej0,26022
chem_mat_data/scripts/create_graph_datasets__elanos_bp.py,sha256=sopo33sYHmDmaL7o6C1R5iE2IBnXrvepnxP3pgrGx_4,4048
chem_mat_data/scripts/create_graph_datasets__elanos_vp.py,sha256=_AKuit2nE6Jngx0jTxpeyypUZ9i5Lz1q4EagaEoDZOE,4060
chem_mat_data/scripts/create_graph_datasets__electrum_coord.py,sha256=gzmcPcbyl0yHa36Rh6FK3icWbAPlMzwdnYn5SGnD63c,16368
chem_mat_data/scripts/create_graph_datasets__electrum_oxstate.py,sha256=b_XKEhMD4gJciqQcPNHBVpE_OE6PhVQkwkDdi6_pE-s,16957
chem_mat_data/scripts/create_graph_datasets__esol.py,sha256=2gy2WiSR68fhjeoU-pADuzxM3PgpLe42WA-SrvmIz1M,1881
chem_mat_data/scripts/create_graph_datasets__freesolv.py,sha256=W31EyL7sgk-mUv81o_0LBBb8U4ijK9l5rxU4h3UCKVI,3058
chem_mat_data/scripts/create_graph_datasets__from_tu.py,sha256=7OxhOQY7NqWj7Pi1M3Nb4fuUgPAjkAriCA-6jmfeaRs,7501
chem_mat_data/scripts/create_graph_datasets__from_tu__MCF_7.py,sha256=L9qUXX---aDMrloFgaoYOd-VLwoZgOZ20xUBGPHkzzA,2822
chem_mat_data/scripts/create_graph_datasets__from_tu__MOLT_4.py,sha256=4itoymoKWAb62h4dMvK3quwR74Mk33_3nyjWb42ipA4,3071
chem_mat_data/scripts/create_graph_datasets__from_tu__OVCAR_8.py,sha256=Eh8INPd9lbGmFiEVO4V-i5dK7EWWv7yojeCW3lwa1jY,3093
chem_mat_data/scripts/create_graph_datasets__from_tu__PC_3.py,sha256=ew_eQ3gxQ3Q3v9OeeG1asmhZbkgGFbD6LcgMijPPDKk,2807
chem_mat_data/scripts/create_graph_datasets__from_xyz.py,sha256=HlP5V0vCdLKz_IHg0pCK4hLwhADxk2cQfgNtEFosUyk,5215
chem_mat_data/scripts/create_graph_datasets__from_xyz__qm9.py,sha256=4rBiKb2If_kKYKkMV7tJjwCOW3G4wXHbfrmKZB4zhE4,1883
chem_mat_data/scripts/create_graph_datasets__half_life.py,sha256=RhKs0N7qcrnWzHRbK9hVfsxebazItr5-_x_jAYPvPxA,3763
chem_mat_data/scripts/create_graph_datasets__hiv.py,sha256=OrSmx0efgyz0jV4C0BBPZ_vHmpBbLEWV0Xzgr404vLE,1724
chem_mat_data/scripts/create_graph_datasets__hopv15_exp.py,sha256=Bk813BlItH9V0UUNTFJjiOqT6iOXiJ7xiv7ugAD8fMI,5066
chem_mat_data/scripts/create_graph_datasets__kulik_spin.py,sha256=8bmDvoQ8owQDPm_46mgw6VW3JmYql-qceoE905V0oDI,21633
chem_mat_data/scripts/create_graph_datasets__lipophilicity.py,sha256=lOq8p1TXi84vdFQDjvJUDfSplV1UsFmNQZ7tv81caEM,2963
chem_mat_data/scripts/create_graph_datasets__muv.py,sha256=2kQC0UeL5rsXPXGkMF8GY49nK-TemJ6L5qMFOzXf8q4,22704
chem_mat_data/scripts/create_graph_datasets__muv_.py,sha256=bAsxZoypZN-bkuVEpMV9z59vYZIS_auVz1yEpNFuIV8,2263
chem_mat_data/scripts/create_graph_datasets__open_melting_point.py,sha256=Ufb6Uvld5u1gmIRGOL9D-bAJqelRqS1WUmlOYpgIvjM,3604
chem_mat_data/scripts/create_graph_datasets__photo_oliogomers.py,sha256=9mXqOcTYWzpIYPEhURnlatxzuLWbU6MVHtT4LbB8XP8,2551
chem_mat_data/scripts/create_graph_datasets__price_small.py,sha256=8XzoGaJlnsdtksdwGYkCqPdnEoGhAsEitWA2L71fIpU,2016
chem_mat_data/scripts/create_graph_datasets__qm9_smiles.py,sha256=eJhS-m3aeIa2tEA29szivfGzh0-DRCn-etjvmAici10,3985
chem_mat_data/scripts/create_graph_datasets__riniker_1.py,sha256=bjKzcK1G4Pdak1JyQTeZA9kmOWSGgHN7dbfmBkEBLb8,32949
chem_mat_data/scripts/create_graph_datasets__riniker_1_filtered.py,sha256=Fo7IxO5rC92OqlS9KRpHrrqt3vzkENoxMjVAmIv-W4I,32713
chem_mat_data/scripts/create_graph_datasets__riniker_2.py,sha256=e8iCwPqStjQljKrbv6WQY9aSoU0aGjX_ZYqxJMou9bc,23044
chem_mat_data/scripts/create_graph_datasets__sider.py,sha256=Owa0iiE457syyTmIAcb1VCaXkpoQ9zaYynVAiJAOdHI,2978
chem_mat_data/scripts/create_graph_datasets__skin_irritation.py,sha256=cOhYBbN-OLYP5mjHXPIIerMAvnhzlyRTG3DVlFzT5Mk,5720
chem_mat_data/scripts/create_graph_datasets__skin_sensitizers.py,sha256=GiJfgANQil10Nnk8mqjtP8cWPeI4BhKPsejZWfcvCKA,6194
chem_mat_data/scripts/create_graph_datasets__synth_binary_global.py,sha256=oJMalVmDl-k11UpFByzqum9x38MowKrv8wzEy-tDTMg,3585
chem_mat_data/scripts/create_graph_datasets__synth_binary_local.py,sha256=7x5hiIAZzcnIAQ9bIVYJp7A47bpWZW1Qgizvu3s7rIY,4347
chem_mat_data/scripts/create_graph_datasets__tadf.py,sha256=E5KzVYz1d2zVKZ-y-8WpnNvtbHuxMqkwXzI0k3-_3Ow,4767
chem_mat_data/scripts/create_graph_datasets__tm_bio.py,sha256=_foOPGAvahHN0mHIHXmlVs8lBzAZ3e-JU8UXHJ8mr2M,14621
chem_mat_data/scripts/create_graph_datasets__tm_cat.py,sha256=HeFrUmxkGD067MlNDzYptrhk03Cd4LXON6JirycCfrU,14587
chem_mat_data/scripts/create_graph_datasets__tm_gsspin.py,sha256=7HBT888nITbsjD7wGhGoFmz9Ax6ynBwfkBOFIox8F3A,23602
chem_mat_data/scripts/create_graph_datasets__tm_photo.py,sha256=BBUKAnxD2vbXTGNDu7QpyG12FHjtHyZUgCdZECIB1EU,14621
chem_mat_data/scripts/create_graph_datasets__tm_sco.py,sha256=QaciUHs-rIkcVIEPBBeMc_H3uQqKfMOa8732Bg-hPxk,14609
chem_mat_data/scripts/create_graph_datasets__tmqm.py,sha256=ocA4RnsB08h6PxBSdVoQ_a5bQeDZRp2ykRwfQtSJATI,16915
chem_mat_data/scripts/create_graph_datasets__tmqmg.py,sha256=W65DxUGfKoVZenvfWahcAUoEw2ktqCJ1sZeHrXf3wuo,23910
chem_mat_data/scripts/create_graph_datasets__tmqmg_star.py,sha256=ZsT14zIzOL3Id4ypm7cpNcHwpt19Fae68jGQk9C12P0,17782
chem_mat_data/scripts/create_graph_datasets__tox21.py,sha256=WqbbwEU9eDQNxgDaRCYtxtCpqOrn4DFHI2wpo8imIG8,2077
chem_mat_data/scripts/create_graph_datasets__toxcast.py,sha256=UWtIbU-JxgK4VC5QM77lXG_yHuXJRu_hOF7EldseXEM,21100
chem_mat_data/scripts/create_graph_datasets__zinc250k.py,sha256=o2OEEeyzmmEy96rtwlK3rgBQ0ufOLJNwpAXe8uKtzIM,5169
chem_mat_data/scripts/test_xyz.ipynb,sha256=69d2Rm_hOq3MChnard5oCji3sV-1uQXa8VNxnzBJp9U,4317
chem_mat_data/scripts/assets/test.xyz,sha256=Ul1Cg2CmnCsb4NcHB5k2Bp5Nm-ajOxdZpm4bA7_GrvI,1008
chem_mat_data/scripts/assets/_test2.xyz_bundle/0.xyz,sha256=Ul1Cg2CmnCsb4NcHB5k2Bp5Nm-ajOxdZpm4bA7_GrvI,1008
chem_mat_data/scripts/assets/_test2.xyz_bundle/1.xyz,sha256=Ul1Cg2CmnCsb4NcHB5k2Bp5Nm-ajOxdZpm4bA7_GrvI,1008
chem_mat_data/scripts/assets/_test2.xyz_bundle/2.xyz,sha256=Ul1Cg2CmnCsb4NcHB5k2Bp5Nm-ajOxdZpm4bA7_GrvI,1008
chem_mat_data/templates/config.toml.j2,sha256=Qh2bhTVH82coYZ4reoA6NkNx5Rb_pRA7Y9czR7Nwzeo,1506
chem_mat_data/templates/docs_dataset.md.j2,sha256=Sk3tONVkNF6sjXY-AlVn_mUgF6f8SwiJV5jWoxyAjvc,302
chem_mat_data/templates/logo_image.txt,sha256=TuD7K18DrZ9k-dXMH4KmSJRS6Y1OkJe5iUeaMF9YpNU,832
chem_mat_data/templates/logo_text.txt,sha256=wXh5-sau_Jr3A4YXjhboHZYR2wvmspomNGUL9GlxijQ,811
chem_mat_database-1.10.0.dist-info/METADATA,sha256=9pH4osbyvkclvqPAk0dUO449DA38J-G9MfbxYMx1vRg,10347
chem_mat_database-1.10.0.dist-info/WHEEL,sha256=QccIxa26bgl1E6uMy58deGWi-0aeIkkangHcxk2kWfw,87
chem_mat_database-1.10.0.dist-info/entry_points.txt,sha256=oTpAzDsbU6NfMxksk3TdeIrySsvWs6INNGrifPkww0s,85
chem_mat_database-1.10.0.dist-info/licenses/LICENSE,sha256=-YcBFI_iuFsNnLXAHYxtVtXYqLo-gsIS8WeYA0HV8r4,1069
chem_mat_database-1.10.0.dist-info/RECORD,,
