Path |
Digest |
Size |
dockstring/__init__.py |
sha256=ItOPKOvsiboBAeKTqfAWH4QYZ3TeA3fvERdCpNlk8rI
|
864 |
dockstring/dataset.py |
sha256=XCnZFJaRiqHi2e2e5kppSSPMIHr2oyrckE9f9AxGoiM
|
4127 |
dockstring/errors.py |
sha256=7zt2CrfK4x_1m8tuSGwxCUxLRMvTzDECuOqoAWMsZWE
|
1409 |
dockstring/target.py |
sha256=EPmS5NF6vRpAQb9VfiMsW6lrhb17_f_7-r7EXZMWq1Q
|
9369 |
dockstring/utils.py |
sha256=uGCn1Pi3ftpxiIntSRYeFi7l1NOH6W8Dewhiq97LEO4
|
16142 |
dockstring/benchmarks/__init__.py |
sha256=tvATlMqmBnlvRjBUx62wPM3kmYFUYVWGYEcE4SaBxjQ
|
63 |
dockstring/benchmarks/original.py |
sha256=Pnl0dODi9ulUqKknoKkg346d7RSJX-K7OMwTYlgsT0M
|
2405 |
dockstring/benchmarks/utils.py |
sha256=GVeU_TPujOrj_p6lVCUlBxQtmZh1lci__42-dOuD8pg
|
1435 |
dockstring/resources/view_search_box.py |
sha256=7pvWUlRsy7xm6leUDzUHfS_2A7Zxspjxi5_iiFrtVcc
|
2117 |
dockstring/resources/bin/LICENSE |
sha256=z8d0m5b2O9McPEK1xHG_dWgUBT6EfBDz6wA0F7xSPTA
|
11358 |
dockstring/resources/bin/README.md |
sha256=KstrK6_Pj6e7Ka6T8vz8F7-LAk1lpwxKrBXNBq9SS34
|
329 |
dockstring/resources/bin/vina_linux |
sha256=0IiT0sgHvIgKcfgu-3dcNrWkPkvbyJICtgyVbwnVy1c
|
1792040 |
dockstring/resources/bin/vina_mac_catalina |
sha256=e3VneXbzN9Y3Xz1eHA0XuV_q6UgLN5Nwhryive63y7w
|
1355084 |
dockstring/resources/targets/ABL1_conf.txt |
sha256=JkWJNW8KP_JYIiK7oZ7tmoMjCBL_q5712XyWs5leWOw
|
102 |
dockstring/resources/targets/ABL1_target.pdbqt |
sha256=LjHi87OrpLte4DjXvDVzx4ZKj_rOd0Heo94e_8DB0rw
|
213672 |
dockstring/resources/targets/ACHE_conf.txt |
sha256=Zf7Tro-BFY0Yonzl8O0QKLBDVSnWrtmCpYYGk-xTRHo
|
102 |
dockstring/resources/targets/ACHE_target.pdbqt |
sha256=V6Gx41L4LxH5QDCXm4XmZDXGDH43S5Ed_sxQY_YdV1o
|
339032 |
dockstring/resources/targets/ADAM17_conf.txt |
sha256=dDINSnt3n6JzxWZvY2lWQCY0RwDgg9GZCrOlqkV_8xg
|
102 |
dockstring/resources/targets/ADAM17_target.pdbqt |
sha256=84Itdok_FpPqFjdb-b83He2NudxBPh4tGBdYBXOwGpE
|
192072 |
dockstring/resources/targets/ADORA2A_conf.txt |
sha256=gnHjzsYlIBK8u0eDwriZY-rohNkUi8eJQ8YbtHUpI1g
|
103 |
dockstring/resources/targets/ADORA2A_target.pdbqt |
sha256=5eyLWDNRGb3pIDWROWFDDAdteHnbwJz-8zJiC8aLw24
|
217112 |
dockstring/resources/targets/ADRB1_conf.txt |
sha256=po7t_cWnBf8u0qm1Id_DIxZmd5GDG-1PHinrLpj1eVk
|
101 |
dockstring/resources/targets/ADRB1_target.pdbqt |
sha256=Q7PJbwxGgPESCXsd5Fn-CJTljO5HNn72q-g0n9PTIM4
|
211992 |
dockstring/resources/targets/ADRB2_conf.txt |
sha256=jErVkRgwPqfdolRgbZdSl01viBV0cPKL0WL__ANVxWA
|
101 |
dockstring/resources/targets/ADRB2_target.pdbqt |
sha256=a-BzlpMKrIcdbZOhZiO8jWy0xhMSc12ywz-RLJC2iYk
|
177592 |
dockstring/resources/targets/AKT1_conf.txt |
sha256=BOM4pqn2Zmj-JI1192zHuBij-rKzINBHG7JTAZzcZSU
|
101 |
dockstring/resources/targets/AKT1_target.pdbqt |
sha256=jtZ2IxjcjGT5aAiioKjtpBLqkR2x3EyeNnvoRQvdhKI
|
238392 |
dockstring/resources/targets/AKT2_conf.txt |
sha256=8JjfNj0bIYZiaSkDPldkGifYA3VlZ3Qty1JHB6N3dnI
|
103 |
dockstring/resources/targets/AKT2_target.pdbqt |
sha256=C89WD3w4RiTuWPrvznxnm81k4IOYQQiNp4oKDab6D4c
|
277112 |
dockstring/resources/targets/AR_conf.txt |
sha256=wzgAW0yv7gESliepvyw7ZnG87k8i0S9k0_ldd0SdiLM
|
101 |
dockstring/resources/targets/AR_target.pdbqt |
sha256=vsg4Tpr4KGCo51f00-ko_NB1dU-jbD9MtbqLncwWcPg
|
182872 |
dockstring/resources/targets/BACE1_conf.txt |
sha256=-Jx4TY24a5nXTwDPpKnwF6TVuYdMoKO1DbfCSKqsvsk
|
103 |
dockstring/resources/targets/BACE1_target.pdbqt |
sha256=rtuvysGXq3gF5_SUePrtbgc3NsC7B9wVLdCASpvAK9E
|
281112 |
dockstring/resources/targets/CA2_conf.txt |
sha256=OrYstq8tlxcSxAH1n8h46HM6jFrcAAMaiv_g261WIxw
|
102 |
dockstring/resources/targets/CA2_target.pdbqt |
sha256=6B31JL-o1zcv2phOEM6AqItnI2fgTYH2Pi2s4wBzDEQ
|
201672 |
dockstring/resources/targets/CASP3_conf.txt |
sha256=QjSucd_CFMdIDwfsrNMwi3o9mK60jUObej5tLH9a8p0
|
103 |
dockstring/resources/targets/CASP3_target.pdbqt |
sha256=c80aFGxl_59ISqFcoBRdYxtyy8YhjfnfKV2A9mFElKU
|
154072 |
dockstring/resources/targets/CDK2_conf.txt |
sha256=PSYpgdbnXf1oRM_2n7dst7TugokEGyhH9ZCuS8ctEpc
|
101 |
dockstring/resources/targets/CDK2_target.pdbqt |
sha256=kDUmRhUQ4ppL_G7hXVPqw8qKEnEMcK7Vx_cPv5grI24
|
219272 |
dockstring/resources/targets/CSF1R_conf.txt |
sha256=ryDQWRABv6AijCjlgCRfFjqnvZLiCwRCn31rS_r-JII
|
101 |
dockstring/resources/targets/CSF1R_target.pdbqt |
sha256=HKKQYLJw3hmnN3EfVX70f-gX5itFkSK8lhDd5d95904
|
204152 |
dockstring/resources/targets/CYP2C9_conf.txt |
sha256=R4Ju3b2Ssim5lgVqQYCBqyU7HbVPNhwvhhlwIaid2EM
|
102 |
dockstring/resources/targets/CYP2C9_target.pdbqt |
sha256=oxXh2GnSDr2NIkv99bY4PXw_YAATQf3ccaenA2g2cTE
|
298232 |
dockstring/resources/targets/CYP3A4_conf.txt |
sha256=BQlBBPdGNxB4iZ3AFznv2otRqCsRF8SpuXHYRzDeo0s
|
104 |
dockstring/resources/targets/CYP3A4_target.pdbqt |
sha256=W83R90MqxNfAhf5bK7dgruosOffkilelzEC2Wlt-VYQ
|
347992 |
dockstring/resources/targets/DHFR_conf.txt |
sha256=rpqwwVpHxoFiv26wy4cNqlxkvlmDNTUK9Z2fXdQARbo
|
101 |
dockstring/resources/targets/DHFR_target.pdbqt |
sha256=3jDIn4NRqWGC6pdr-duxd_R-2-1VTzIC8wGOIGTyMKw
|
152152 |
dockstring/resources/targets/DPP4_conf.txt |
sha256=5iNCpwPb3KAIifD69n6dNJiII7XFrXJNKSi7pKwhGKU
|
104 |
dockstring/resources/targets/DPP4_target.pdbqt |
sha256=2G7znEoV0TrEzpUGN7L9nKiCxuKIRydaIn-RektQLxo
|
465352 |
dockstring/resources/targets/DRD2_conf.txt |
sha256=3491QJep-IoSG7heTrS4IRMBFobytJuP-C9EcKh1qjA
|
93 |
dockstring/resources/targets/DRD2_target.pdbqt |
sha256=R7dInAGgxrGJxJUse-ZxssVKAyYyUau1VCRF07yXV2o
|
330632 |
dockstring/resources/targets/DRD3_conf.txt |
sha256=iLhgszOch_GdAYijzdAQFRkDUOn_WAOkbR-OuzQBHKU
|
102 |
dockstring/resources/targets/DRD3_target.pdbqt |
sha256=TvD4cXbIsAx8frMt_U2d2k-gCroIQkPS69I2jzAXfj8
|
204552 |
dockstring/resources/targets/EGFR_conf.txt |
sha256=Ych2X_j-a5zYVu5Fu_n3YY9KKfWqE7KWPHZDKNymOiw
|
103 |
dockstring/resources/targets/EGFR_target.pdbqt |
sha256=voUPkrAfJkpkio-zGxAZU-9JuV8KflzRb9ShPGg2bsM
|
198072 |
dockstring/resources/targets/ESR1_conf.txt |
sha256=6Pc8itvsF8fY7RUStZ2IUtvl350egXa15J0ectGkKFs
|
103 |
dockstring/resources/targets/ESR1_target.pdbqt |
sha256=y9rTBZV3Lq84R_g_MXKmT81T0-R-3ZTH-8C3bWpZhho
|
166632 |
dockstring/resources/targets/ESR2_conf.txt |
sha256=-pXnratDAmp6AzN8f-roNP6RaVQXLG715MVedwKfvOw
|
103 |
dockstring/resources/targets/ESR2_target.pdbqt |
sha256=vjqAtV8nO5GiSuZdxsbDpLRDTxlOsa2FK4B8D1X2M8o
|
211032 |
dockstring/resources/targets/F10_conf.txt |
sha256=KxaLssllRneQwy8-l0IhI2DbPchATWj7csKrV7tUTEE
|
103 |
dockstring/resources/targets/F10_target.pdbqt |
sha256=ta_-nGCgEAq_XpECbp85EF65eqkKLUy9M6dWctndhLA
|
181752 |
dockstring/resources/targets/F2_conf.txt |
sha256=opolSWGkZGJz-t_b0SS_mD_c2VvLEYOguvMfSQ5VNgA
|
104 |
dockstring/resources/targets/F2_target.pdbqt |
sha256=n5Hnly3jTv2gGUATQ33GIw7QVMmZEag4duhHv5hde2M
|
209992 |
dockstring/resources/targets/FGFR1_conf.txt |
sha256=0HVjpVXZdeArdB4zN-vM9ngiMw96fA7tul6UELSJ5Wo
|
101 |
dockstring/resources/targets/FGFR1_target.pdbqt |
sha256=frhqnYhWWu3yYWJVBWKU_tlhRAeOlYEq4KQV7gorz_Q
|
195992 |
dockstring/resources/targets/GBA_conf.txt |
sha256=SuQWcHf8lQOYHne2dhW4_X-G0btMyCjMrhXKXzQA6Ng
|
102 |
dockstring/resources/targets/GBA_target.pdbqt |
sha256=oaZQ3ecw-daZbpTS8jLgNC73pQTDFmIjDS2h-cyHOXk
|
375192 |
dockstring/resources/targets/HMGCR_conf.txt |
sha256=RrZCIUgQHK7-4zJmKU5bh7XwgL8mi4EgoSP7r7XHMD8
|
103 |
dockstring/resources/targets/HMGCR_target.pdbqt |
sha256=vtmDpqwVbTTpmmYn0zGNjNSF2DwAVEq_ESI7JJKOnZ4
|
427112 |
dockstring/resources/targets/HSD11B1_conf.txt |
sha256=_jX8pUyDiIfzws7Mh6TE_C-Xv-h7Cs7Bz64sapHSVsc
|
103 |
dockstring/resources/targets/HSD11B1_target.pdbqt |
sha256=tGvwBrXQVrEWW0GZNimSpbIejPgt3AAga6ZmGk6ook8
|
255192 |
dockstring/resources/targets/HSP90AA1_conf.txt |
sha256=yT2G0C9HYlLTRHM-cVIjVShLbLFGZfNzAY-R3ovyhx4
|
102 |
dockstring/resources/targets/HSP90AA1_target.pdbqt |
sha256=kAdGliNHEZV_jY9URu-kNxtTEjMm_0rXGM-ck2rWoL8
|
160072 |
dockstring/resources/targets/IGF1R_conf.txt |
sha256=p7NeEoWdTNjrYvUUQ6LmVU7C1KmczoqOy5AU10x9OGk
|
102 |
dockstring/resources/targets/IGF1R_target.pdbqt |
sha256=gRQDzKUz32M938cePPFRT_8dgZmKBiA3krtOOY39Qlc
|
199032 |
dockstring/resources/targets/JAK2_conf.txt |
sha256=Qth2VIgC8UvipY-3HXgPAuI5Ip97GDxU35-2OxGFtkQ
|
104 |
dockstring/resources/targets/JAK2_target.pdbqt |
sha256=VoDFPSC_zkIO3YbTVwNljrpMjAQdkQI3Ko6ZDN3rSac
|
216552 |
dockstring/resources/targets/KDR_conf.txt |
sha256=50NGozHIKTM_uWZfIxQCjWr3BYuAS6w7Jcp_D7ok5EM
|
103 |
dockstring/resources/targets/KDR_target.pdbqt |
sha256=Dvt9ey_pyWymgst_JNcTLVn7A2Upysshrylb3dzFTkE
|
238232 |
dockstring/resources/targets/KIT_conf.txt |
sha256=h7xpbGl64nvqkXuGLCCmaUA9twzuYuRmCGOTnGZky7Y
|
104 |
dockstring/resources/targets/KIT_target.pdbqt |
sha256=5jDeuzhx8T1WoOVSvyeUQ2XtOSinyDrjmuis2-6I8Y0
|
211512 |
dockstring/resources/targets/LCK_conf.txt |
sha256=0FQ8bRJvAhXE1l8WTiRn1ruIQUrPfiTpc8ITSk0k0-M
|
103 |
dockstring/resources/targets/LCK_target.pdbqt |
sha256=NlxVlHQuVpHf9-oeqapbD7PSXFAR_lsARIZVc7l8tNA
|
201192 |
dockstring/resources/targets/MAOB_conf.txt |
sha256=spr9l7CgNZCpw4siGDQxN9blnJogullQ6Phz0s2i_oA
|
104 |
dockstring/resources/targets/MAOB_target.pdbqt |
sha256=eKLJE38XGIFl5oE3j9HHxZdEVMlIxxuj2tcXIckaIAs
|
360472 |
dockstring/resources/targets/MAP2K1_conf.txt |
sha256=2a2Sb9adtGabSVofWvJhxG8J0AaXM4mDI7Rig2aEwCQ
|
103 |
dockstring/resources/targets/MAP2K1_target.pdbqt |
sha256=rOhWlwkMbCZMdHRkZ5BB61F4tn4750XN_z2OCkWgQ4I
|
242552 |
dockstring/resources/targets/MAPK14_conf.txt |
sha256=hrRHYMNxK0Gcg1mmZmnyIqgnc5PsXb43OBoyY6Toisc
|
103 |
dockstring/resources/targets/MAPK14_target.pdbqt |
sha256=4RJ1tkeshG5-Y68ujY10gu-dp_douCI6LUnIFozspmw
|
213192 |
dockstring/resources/targets/MAPK1_conf.txt |
sha256=yqPk8mlNcGqGQnUoJY1d430S27-GD8H38Wja7p_4Y6k
|
104 |
dockstring/resources/targets/MAPK1_target.pdbqt |
sha256=KB4NiejU-hcKhgY3IJG201LHqfty3W8HM0sbXVT_T_8
|
211512 |
dockstring/resources/targets/MAPKAPK2_conf.txt |
sha256=ocvi-JiqWyIOVGD8_djJXAPFssLx_gTX-AEHRLdP4ho
|
102 |
dockstring/resources/targets/MAPKAPK2_target.pdbqt |
sha256=dcTRQ83dYlmmAwYh3z-KnYc5y1PprZQXU0BI6Bc40MI
|
200552 |
dockstring/resources/targets/MET_conf.txt |
sha256=NFUhCpss8MCCDVHYgDCYRV8bjyeryCgU7N6gsuBihoM
|
102 |
dockstring/resources/targets/MET_target.pdbqt |
sha256=2qemBO6Gqzds87tx5kfZD0U3s0z2it-RGPkamyyo6fY
|
208152 |
dockstring/resources/targets/MMP13_conf.txt |
sha256=QwpjiB0EFxx231dtyPjhkVkbmXORhHk5vXGsa0laZVc
|
103 |
dockstring/resources/targets/MMP13_target.pdbqt |
sha256=0SZyj9RXrxpzAFCEOVCO8PTJFadDgopPTkzqTW_XVHo
|
148792 |
dockstring/resources/targets/NOS1_conf.txt |
sha256=SeIH25HBIKr4WY9hOxh1EdoXIKSaG8z2IAbJvI_2krw
|
101 |
dockstring/resources/targets/NOS1_target.pdbqt |
sha256=VC7vmTNulSh_R8kAbPAwdvmy_AgkVCmvIsGtdR2hp0E
|
289672 |
dockstring/resources/targets/NR3C1_conf.txt |
sha256=yhTJrDaIwTpFFaOsSKcUU8gI_blMgoxzpXP91-gpLgE
|
102 |
dockstring/resources/targets/NR3C1_target.pdbqt |
sha256=7yhdHc_gvc5PdF8HuJ8WTC9yD--nITXoAFsAi4woddA
|
196872 |
dockstring/resources/targets/PARP1_conf.txt |
sha256=HoSUsDQi5tu6mm46JrWmRAXsS-Ru1nAkZRMnfmgNmgM
|
103 |
dockstring/resources/targets/PARP1_target.pdbqt |
sha256=9dD7LQmzv5NKmc2q32TB1ELJeKcWdL7qbMPe6-Z2WIs
|
269752 |
dockstring/resources/targets/PDE5A_conf.txt |
sha256=08cWYMKouKjD9v3rEjS9M48NI_3wZXvoYESVu2nkT3w
|
102 |
dockstring/resources/targets/PDE5A_target.pdbqt |
sha256=Wd1TgnMne1srNWmHxB4shPuc5w_lOzwqTiUrsoqUgzM
|
254792 |
dockstring/resources/targets/PGR_conf.txt |
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103 |
dockstring/resources/targets/PGR_target.pdbqt |
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221912 |
dockstring/resources/targets/PLK1_conf.txt |
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102 |
dockstring/resources/targets/PLK1_target.pdbqt |
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196472 |
dockstring/resources/targets/PPARA_conf.txt |
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dockstring/resources/targets/PPARA_target.pdbqt |
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196872 |
dockstring/resources/targets/PPARD_conf.txt |
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102 |
dockstring/resources/targets/PPARD_target.pdbqt |
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208552 |
dockstring/resources/targets/PPARG_conf.txt |
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dockstring/resources/targets/PPARG_target.pdbqt |
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189112 |
dockstring/resources/targets/PTGS2_conf.txt |
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105 |
dockstring/resources/targets/PTGS2_target.pdbqt |
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433672 |
dockstring/resources/targets/PTK2_conf.txt |
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dockstring/resources/targets/PTK2_target.pdbqt |
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189752 |
dockstring/resources/targets/PTPN1_conf.txt |
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dockstring/resources/targets/PTPN1_target.pdbqt |
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204632 |
dockstring/resources/targets/REN_conf.txt |
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104 |
dockstring/resources/targets/REN_target.pdbqt |
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|
301112 |
dockstring/resources/targets/ROCK1_conf.txt |
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104 |
dockstring/resources/targets/ROCK1_target.pdbqt |
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259432 |
dockstring/resources/targets/SRC_conf.txt |
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100 |
dockstring/resources/targets/SRC_target.pdbqt |
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183112 |
dockstring/resources/targets/THRB_conf.txt |
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dockstring/resources/targets/THRB_target.pdbqt |
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169912 |
dockstring-0.3.2.dist-info/LICENSE |
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11358 |
dockstring-0.3.2.dist-info/METADATA |
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|
19567 |
dockstring-0.3.2.dist-info/WHEEL |
sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A
|
92 |
dockstring-0.3.2.dist-info/top_level.txt |
sha256=-9Kw_qd2Bx_upa1WqnPlETnDqRtPhe0cWrIdg0uuWV4
|
11 |
dockstring-0.3.2.dist-info/RECORD |
— |
— |