Path |
Digest |
Size |
molmap/__init__.py |
sha256=GMtmy-eab_cpsH528tl34wxyWZoQG4pj-piN_Vj8miM
|
443 |
molmap/_base.py |
sha256=W12MmiFP4_GtP502Q4MIyoH6XVVa7PLPlOFRMg35HQs
|
17532 |
molmap/agg.py |
sha256=ym7eyas4OK1cTqtrPsvAnoetIRsq4GrKCVepDJyl8m4
|
17443 |
molmap/cpd.py |
sha256=lAzVkPHDKGGQzsYt0VufZBTDRR2F1Wj3ATNN4L9EpQU
|
12617 |
molmap/map.py |
sha256=h7p398GKl_o-IUHQsik-VOFvkQJ2NAff-ZdSUIktar0
|
12610 |
molmap/pdb.py |
sha256=6qzrHdXdc-8XyoZr7oPTRqw_2EBvz9BHt77FU4BGe1A
|
14707 |
molmap/seq.py |
sha256=ktf7OfpKUuWht5mfm-6Ex0t2phWHMC0agvS_VS2kQLk
|
10764 |
molmap/show.py |
sha256=tN2VYO1stA86DyZK_PKTdJkMuCWJLOcNEs1iKwij8YA
|
2184 |
molmap/config/__init__.py |
sha256=ep9DFrZ1dxWUTdXkkK7-BzX5QDNHt_hP8bD40LXyrGk
|
2868 |
molmap/config/descriptor_scale.cfg.gzip |
sha256=MseKHh8QnFR6Tc5gE5-t6OMZuV4tWxG3IfrjKNSe6F0
|
72089 |
molmap/config/fingerprint_scale.cfg.gzip |
sha256=PBsUKSCo6z9eAudGZzkhNfM3qEmOdI2igduh7kKQ6Gw
|
524598 |
molmap/dataset/FreeSolv.csv |
sha256=q1iV2RTuh8tWO9e5YR6GlSe7pFvsawFNNNxJWg-dy3I
|
32060 |
molmap/dataset/__init__.py |
sha256=VnHb7ms6C9LjfpKWvVNPs0qLxAjmkvdSsMNDjCpFDz4
|
11534 |
molmap/dataset/bace.csv |
sha256=soNxh40TqySiTIJSmqeuZSW8oMbSDahB_2zR-l8B640
|
175387 |
molmap/dataset/clintox.csv |
sha256=mZmBbnYN2Dg1i12I6BzqL8BivkRY_6QSzuzbpPiKZ7Y
|
95512 |
molmap/dataset/delaney-processed.csv |
sha256=jAanbwxkh9KasPkD5qenE58YmrPBF48VnIvolkYC8Yk
|
96699 |
molmap/feature/__init__.py |
sha256=-AucNtIdjkAwV0AvzM96v_BoOxhMl6PWTYL8yCoc3sQ
|
52 |
molmap/feature/descriptor/__init__.py |
sha256=ozrfLnMT6mRmSGUWtuMsN2j0zG2aOs-7bA0Xdz5IvdE
|
4948 |
molmap/feature/descriptor/autocorr.py |
sha256=nAktVhr3fg5AdiQ68Vge0isChrKIME0iAxey0tzN1nc
|
812 |
molmap/feature/descriptor/charge.py |
sha256=LHMMw_cetNPalqG1suRsPZBqgpaOQRCZbaCS_shhH0E
|
19472 |
molmap/feature/descriptor/connectivity.py |
sha256=p0PowIh1XL_1eR8sps1V1xx3ddbw2t9BpVuP01u3Em8
|
779 |
molmap/feature/descriptor/constitution.py |
sha256=gLNHyqaiRS1AfL4jH2ky5vLaIiEYvRsvbP5amNxp22w
|
5945 |
molmap/feature/descriptor/estate.py |
sha256=0nwCqU1_YeCSZSAXWqbnPx9sLJoUEv57J4C68YsaITs
|
389 |
molmap/feature/descriptor/fragment.py |
sha256=P1vYu9CKh6B-RSe-184dd2dKtVOvEGS7ScVzIkeCm3o
|
1308 |
molmap/feature/descriptor/infocontent.py |
sha256=fJshpjCELwhOWEPJRKdmQCc1Y-GjW2h3bEGY14lHu2c
|
932 |
molmap/feature/descriptor/kappa.py |
sha256=lbHgFdi_QpkSbhFDqvxojwjiercazhR2HjhoGvnBfoA
|
4458 |
molmap/feature/descriptor/matrix.py |
sha256=A0nNU3znXs64WJoQK8h-BtXVlc1LuNSJomaWlgrPzKY
|
608 |
molmap/feature/descriptor/moe.py |
sha256=IfPtQOLfLJ5yhOK4l8gO9WfoIDae_ZizC3Qp6MVSggk
|
2101 |
molmap/feature/descriptor/path.py |
sha256=a9887IyDnBZoF1fzhLKzBNkJFsbhbTcXsO1_g0_0Gxk
|
4476 |
molmap/feature/descriptor/property.py |
sha256=Lsl34_thA8N_DvX-EKuL1GFgVnT7gbLYs61GFfDwWgw
|
6580 |
molmap/feature/descriptor/topology.py |
sha256=TEcD8VeTzl1lgQ_LzCQ5nkAeIaHGjuAPccQLvGXagtg
|
14988 |
molmap/feature/fingerprint/__init__.py |
sha256=pSNMoop31rY8MthSOyQ-1tvjhPSeGj0Fx8p80BE7Ht0
|
4043 |
molmap/feature/fingerprint/atompairs.py |
sha256=ei69mzHNC75u7b64tBxHWCzXbzvQ09mJ7m3IPU-01Ss
|
460 |
molmap/feature/fingerprint/avalonfp.py |
sha256=emVsXkLYHLZqE0ZgxSvgHAQkPkaKMabKbPiPl5WXm3o
|
404 |
molmap/feature/fingerprint/estatefp.py |
sha256=PK0o5Kv-NdR1PxN4m9WukUiFAhpkFM87AHjyruPOCuQ
|
225 |
molmap/feature/fingerprint/maccskeys.py |
sha256=Ob5VrXN46MU0ytOVsnnL2a_rR0ocMzOPfu8UkHAWYdg
|
474 |
molmap/feature/fingerprint/maccskeys.xlsx |
sha256=PGMevEAu3vBm4A_RXlpU9cVzTMTEK10SR2gMkgnS8qo
|
13970 |
molmap/feature/fingerprint/map4.py |
sha256=KaIGWKc24TwktviOG1x7n0qxE4L3pssUqt7q4wtbja8
|
4360 |
molmap/feature/fingerprint/mhfp6.py |
sha256=d3Bii71uZ_yZ5vIQFYjrgR4Qz-7SZvMTDPHyloMKctw
|
549 |
molmap/feature/fingerprint/mnimalfatures.fdef |
sha256=c0IcFcve-iZ5uHjUoYvr5fubrWQcrqJH2pklCdcHuAw
|
1668 |
molmap/feature/fingerprint/morganfp.py |
sha256=D04kbRRP0etRxMd_Ggtw9OKq5s9m52IXa5VMM_axOPM
|
518 |
molmap/feature/fingerprint/pharmErGfp.py |
sha256=i45Z7emwAnJboRp2HmRN5cbPKnYqwFavXlEtYTIDybE
|
1895 |
molmap/feature/fingerprint/pharmPointfp.py |
sha256=NezM1_jkC3mmPaPYZ5rZMKlxBHZl6OWuYjBnqK6g7Ls
|
2051 |
molmap/feature/fingerprint/pubchemfp.py |
sha256=TVt4KHpnfM22HuJFJw22VhSJoTxtRrg6sqpcjANtMJQ
|
47311 |
molmap/feature/fingerprint/pubchemfp.xlsx |
sha256=rURJvvLayHpmOG8c02BDUA69IOHkSxOWaFPO-aFfEfo
|
41242 |
molmap/feature/fingerprint/rdkitfp.py |
sha256=ur5rsvvMuy7RHhFCkbDYSHiBeJLuYkhkGm7JKUJw9KE
|
1164 |
molmap/feature/fingerprint/smarts_maccskey.py |
sha256=vX-zG0auyUx_8c5OAUsg7FJhIVh-2nbvUoB_iXi8s2Q
|
7155 |
molmap/feature/fingerprint/smarts_pharmacophore.py |
sha256=YUYFNsIzqbM-NfMBBnOIC7_mLMkY-Af5LqawgmNziMA
|
828 |
molmap/feature/fingerprint/smarts_pubchem.py |
sha256=bMTX7d09DRQUYC9kVbQaEiO9ZINaUNBPiTXzdGG681U
|
34320 |
molmap/feature/fingerprint/torsions.py |
sha256=dl-jLMTReOqnd7Yp2W5avMVDBSaRjtik6xt7DZy9rRM
|
475 |
molmap/feature/sequence/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
molmap/feature/sequence/aas/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
molmap/feature/sequence/aas/global_feature/_AAComposition.py |
sha256=dy7QQDMgfIGBk7PUfyQokP2H1h8-JuzD69RUt4wB2IA
|
6320 |
molmap/feature/sequence/aas/global_feature/_Autocorrelation.py |
sha256=sALSgiQ33tt3TT6nkL0zedotYHtiVwtNr56-tqnKr6I
|
33216 |
molmap/feature/sequence/aas/global_feature/_CTD.py |
sha256=34unzkV0-_06WVdTKSzaA7YaCawDOIFCPdcGVYoCeQM
|
27039 |
molmap/feature/sequence/aas/global_feature/_PseudoAAC.py |
sha256=Y8VWyK--R2rejsID8p_ZBRFVeI1_uzfcf-WOVrJViTo
|
23539 |
molmap/feature/sequence/aas/global_feature/_QuasiSequenceOrder.py |
sha256=oJHiQMYokrgvL3a1ZsdrcKAXhz2mzC7-iDOgYGPTW84
|
25809 |
molmap/feature/sequence/aas/global_feature/__init__.py |
sha256=YmdlzISxOm9G9pm0Xvs3Iv7cn28BtfcbOgd8stXKedE
|
6263 |
molmap/feature/sequence/aas/local_feature/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
molmap/feature/sequence/aas/local_feature/aai/__init__.py |
sha256=NpZ-CmFvtrbS9IVjOs8UdybHDNmdmlSXNZ03aYayIy8
|
731 |
molmap/feature/sequence/aas/local_feature/aai/result_data/01_aaindex.csv |
sha256=w51Y1TDdf3F2LAqKgTG_n-RvBvsLGBePqrh-rZnWMoE
|
64330 |
molmap/feature/sequence/aas/local_feature/aai/result_data/01_aaindex_meta.pkl |
sha256=-2xjfdWLXH51a-8EV7v8t6uVhetJfY7E8PyCKgWBLzY
|
448037 |
molmap/feature/sequence/aas/local_feature/aai/result_data/02_aametrix.csv |
sha256=_2v_CJy_8ka4a7pEbGO_w_OqvmiTBv8O0bUkCBWHpcU
|
181049 |
molmap/feature/sequence/aas/local_feature/aai/result_data/02_aametrix_meta.pkl |
sha256=sbyCtb4ReKMHsQQSp-gGtlAieGJM0RDwbPzkb-o0mXM
|
26896 |
molmap/feature/sequence/aas/local_feature/aai/result_data/03_aametrix.csv |
sha256=sMAErRsMifQJBdlVyVix6-16dibbdIl4HmVxRS9pdhI
|
110004 |
molmap/feature/sequence/aas/local_feature/aai/result_data/03_aametrix_meta.pkl |
sha256=jpkRMZemTq3rFVt-ytO4_cUgnHTjJDjaseUhCEkQK40
|
14737 |
molmap/feature/sequence/aas/local_feature/aai/result_data/Tomii_aa_group_info.csv |
sha256=joZ9HfQVEnmwLFEszocpnDoAY8PFdHFV-_NJcAJslkc
|
40387 |
molmap/feature/sequence/aas/local_feature/aai/result_data/all_data.csv |
sha256=V5pQWk6r0oyT6EYUm-wBSR0uiqKIOgZ2uB5Djr9SY8w
|
2764681 |
molmap/feature/sequence/aas/local_feature/aai/result_data/all_meta.csv |
sha256=iwtFEqM56GKebFuyPemY65FdlH7Q6gOCLqdmVNawdks
|
495135 |
molmap/feature/sequence/nas/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
molmap/feature/sequence/nas/global_feature/__init__.py |
sha256=kI8X0ot-uEs0D-8JI6-720tSf1ySUSCjAMz1VKWQgJs
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6224 |
molmap/feature/sequence/nas/global_feature/ac.py |
sha256=0mfdaRX6TCV2RHJjsuyelXBJa_ZYpRx0y3160-8E5pc
|
12000 |
molmap/feature/sequence/nas/global_feature/acutil.py |
sha256=551tgsKSBplfP8LLr8gFL6PmoHvO92UY3gVm618vzG4
|
3308 |
molmap/feature/sequence/nas/global_feature/nac.py |
sha256=9DnkSnSxo7rt5Gl4sCF6yk2JAt8Pc7XDyFaQpo2X3gw
|
8934 |
molmap/feature/sequence/nas/global_feature/nacutil.py |
sha256=YsTrlZ4FwQAyjcl_gk6VPcOEYZCqMGlAkgX0uuiySyU
|
23239 |
molmap/feature/sequence/nas/global_feature/psenac.py |
sha256=0CVm9vh0iLo41iiZAeimki58DXqZlYZVwiw5HIULxU8
|
20407 |
molmap/feature/sequence/nas/global_feature/psenacutil.py |
sha256=6pJeqVLawpgNyhqte9dZaQ8xnBR5uTwMyCYKQh5qj3Q
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9473 |
molmap/feature/sequence/nas/global_feature/test.py |
sha256=YADpcnUrkdrAkfHbtDARBEPQszmEXoWzCZZAdS0S-r8
|
186 |
molmap/feature/sequence/nas/global_feature/util.py |
sha256=Vwsz-1VpH8mfTzJfvc2HD_qRZ1a-R9aS1GrsxP0xQuQ
|
12773 |
molmap/feature/sequence/nas/global_feature/data/mmc3.data |
sha256=RnXPjt7pEYE6GqK1nIOLXQ-5sfmnf8s0UbfPZyuzG7I
|
15344 |
molmap/feature/sequence/nas/global_feature/data/mmc4.data |
sha256=CcPywx5ey5kBIZP2g3lvEbSbtsp5wCSeak4tCCceGp4
|
19670 |
molmap/model/__init__.py |
sha256=b16fE8p1keQrCAFNTCaeu4W65YkgBlC6jegFnMNPwOw
|
176 |
molmap/model/cbks.py |
sha256=0VeQfx0b8TXFWaT03l6QjB-nmmwBHf7FEu-NtswL2Ts
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14328 |
molmap/model/importance.py |
sha256=B6HONHon_iGefKtvTB_vRvY7UghKbHmLUqgBPH36l5w
|
1016 |
molmap/model/loss.py |
sha256=fO_fCB4M7phBE4EHu9ZrkpAMvjZJNU50AzgkGbN2MD4
|
885 |
molmap/model/model.py |
sha256=2WB_HS_eXMeXY5P9S8BYrPuxDArmsLOEWB8rqM_-4h4
|
28857 |
molmap/model/net.py |
sha256=Zg2tPgv3HpwAGSg0PlZ2oK1vh8j9EU3KaGhENjrAQkw
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7738 |
molmap/utils/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
molmap/utils/calculator.py |
sha256=Tex14iBQR7X__QbGS_sDmurt_yMMW0XEuAzM5jXagdw
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2382 |
molmap/utils/distances.py |
sha256=v6aul-gML9ZozuSMGFTq26SQ2enj3zDMLhRGrAkGCgo
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6295 |
molmap/utils/logtools.py |
sha256=p3gVbUAQ5Q-jN3yDVpFJmds8bqdSVKQgs9bCy8LbcyY
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4489 |
molmap/utils/matrixopt.py |
sha256=ZCmiQHZGabasbL6ifKNeq3qikI9F6kTin4aNFmI2uIA
|
7104 |
molmap/utils/multiproc.py |
sha256=5eaOnYy5SCrf99fLFSGTjWqRth5GW2SZNEydhD0BFtk
|
5489 |
molmap/utils/summary.py |
sha256=pSEOIaWIEd6Q-1UEPYEFaslGdtO0XwKqNawCvf3Zpwo
|
2227 |
molmap/utils/vismap.py |
sha256=RrnSyfzx0oCZEDXu_vjzmL_JIhT-CN0VaEv4VCuT9-s
|
8573 |
molmap/utils/vismap2.py |
sha256=kG9QQa0JK-r41NzTBtHg8rzqRkWABVUU5KxWN1Hf5vA
|
9060 |
molmap-1.3.9.8.dist-info/LICENSE |
sha256=5-dcChKKeBsVv2muHOzxeiXIpp_poVy0CufDbqK8sQI
|
1094 |
molmap-1.3.9.8.dist-info/METADATA |
sha256=hXRjbmcmeecJg1Ofl27x73Z1SqJO9KzuEjixpE42UaI
|
8153 |
molmap-1.3.9.8.dist-info/WHEEL |
sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo
|
92 |
molmap-1.3.9.8.dist-info/top_level.txt |
sha256=NY6opj8v6hAxCmJBD4-ikTA2LFy_Or19wPqa7_ngCgs
|
7 |
molmap-1.3.9.8.dist-info/RECORD |
— |
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