forked from aspuru-guzik-group/stoned-selfies
-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathpoetry.lock
232 lines (211 loc) · 13 KB
/
poetry.lock
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
[[package]]
name = "atomicwrites"
version = "1.4.0"
description = "Atomic file writes."
category = "dev"
optional = false
python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
[[package]]
name = "attrs"
version = "21.2.0"
description = "Classes Without Boilerplate"
category = "dev"
optional = false
python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
[package.extras]
dev = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface", "furo", "sphinx", "sphinx-notfound-page", "pre-commit"]
docs = ["furo", "sphinx", "zope.interface", "sphinx-notfound-page"]
tests = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins", "zope.interface"]
tests_no_zope = ["coverage[toml] (>=5.0.2)", "hypothesis", "pympler", "pytest (>=4.3.0)", "six", "mypy", "pytest-mypy-plugins"]
[[package]]
name = "colorama"
version = "0.4.4"
description = "Cross-platform colored terminal text."
category = "dev"
optional = false
python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
[[package]]
name = "iniconfig"
version = "1.1.1"
description = "iniconfig: brain-dead simple config-ini parsing"
category = "dev"
optional = false
python-versions = "*"
[[package]]
name = "numpy"
version = "1.21.1"
description = "NumPy is the fundamental package for array computing with Python."
category = "main"
optional = false
python-versions = ">=3.7"
[[package]]
name = "packaging"
version = "21.3"
description = "Core utilities for Python packages"
category = "dev"
optional = false
python-versions = ">=3.6"
[package.dependencies]
pyparsing = ">=2.0.2,<3.0.5 || >3.0.5"
[[package]]
name = "pluggy"
version = "1.0.0"
description = "plugin and hook calling mechanisms for python"
category = "dev"
optional = false
python-versions = ">=3.6"
[package.extras]
dev = ["pre-commit", "tox"]
testing = ["pytest", "pytest-benchmark"]
[[package]]
name = "py"
version = "1.11.0"
description = "library with cross-python path, ini-parsing, io, code, log facilities"
category = "dev"
optional = false
python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
[[package]]
name = "pyparsing"
version = "3.0.6"
description = "Python parsing module"
category = "dev"
optional = false
python-versions = ">=3.6"
[package.extras]
diagrams = ["jinja2", "railroad-diagrams"]
[[package]]
name = "pytest"
version = "6.2.5"
description = "pytest: simple powerful testing with Python"
category = "dev"
optional = false
python-versions = ">=3.6"
[package.dependencies]
atomicwrites = {version = ">=1.0", markers = "sys_platform == \"win32\""}
attrs = ">=19.2.0"
colorama = {version = "*", markers = "sys_platform == \"win32\""}
iniconfig = "*"
packaging = "*"
pluggy = ">=0.12,<2.0"
py = ">=1.8.2"
toml = "*"
[package.extras]
testing = ["argcomplete", "hypothesis (>=3.56)", "mock", "nose", "requests", "xmlschema"]
[[package]]
name = "rdkit-pypi"
version = "2021.9.2.1"
description = "A collection of chemoinformatics and machine-learning software written in C++ and Python"
category = "main"
optional = false
python-versions = "*"
[package.dependencies]
numpy = ">=1.19"
[[package]]
name = "selfies"
version = "2.0.0"
description = "SELFIES (SELF-referencIng Embedded Strings) is a general-purpose, sequence-based, robust representation of semantically constrained graphs."
category = "main"
optional = false
python-versions = ">=3.5"
[[package]]
name = "toml"
version = "0.10.2"
description = "Python Library for Tom's Obvious, Minimal Language"
category = "dev"
optional = false
python-versions = ">=2.6, !=3.0.*, !=3.1.*, !=3.2.*"
[metadata]
lock-version = "1.1"
python-versions = "^3.8"
content-hash = "0d43c28a637ea73590eb40055142e966da51bdca8a827bdcb06f82114d80cd46"
[metadata.files]
atomicwrites = [
{file = "atomicwrites-1.4.0-py2.py3-none-any.whl", hash = "sha256:6d1784dea7c0c8d4a5172b6c620f40b6e4cbfdf96d783691f2e1302a7b88e197"},
{file = "atomicwrites-1.4.0.tar.gz", hash = "sha256:ae70396ad1a434f9c7046fd2dd196fc04b12f9e91ffb859164193be8b6168a7a"},
]
attrs = [
{file = "attrs-21.2.0-py2.py3-none-any.whl", hash = "sha256:149e90d6d8ac20db7a955ad60cf0e6881a3f20d37096140088356da6c716b0b1"},
{file = "attrs-21.2.0.tar.gz", hash = "sha256:ef6aaac3ca6cd92904cdd0d83f629a15f18053ec84e6432106f7a4d04ae4f5fb"},
]
colorama = [
{file = "colorama-0.4.4-py2.py3-none-any.whl", hash = "sha256:9f47eda37229f68eee03b24b9748937c7dc3868f906e8ba69fbcbdd3bc5dc3e2"},
{file = "colorama-0.4.4.tar.gz", hash = "sha256:5941b2b48a20143d2267e95b1c2a7603ce057ee39fd88e7329b0c292aa16869b"},
]
iniconfig = [
{file = "iniconfig-1.1.1-py2.py3-none-any.whl", hash = "sha256:011e24c64b7f47f6ebd835bb12a743f2fbe9a26d4cecaa7f53bc4f35ee9da8b3"},
{file = "iniconfig-1.1.1.tar.gz", hash = "sha256:bc3af051d7d14b2ee5ef9969666def0cd1a000e121eaea580d4a313df4b37f32"},
]
numpy = [
{file = "numpy-1.21.1-cp37-cp37m-macosx_10_9_x86_64.whl", hash = "sha256:38e8648f9449a549a7dfe8d8755a5979b45b3538520d1e735637ef28e8c2dc50"},
{file = "numpy-1.21.1-cp37-cp37m-manylinux_2_12_i686.manylinux2010_i686.whl", hash = "sha256:fd7d7409fa643a91d0a05c7554dd68aa9c9bb16e186f6ccfe40d6e003156e33a"},
{file = "numpy-1.21.1-cp37-cp37m-manylinux_2_12_x86_64.manylinux2010_x86_64.whl", hash = "sha256:a75b4498b1e93d8b700282dc8e655b8bd559c0904b3910b144646dbbbc03e062"},
{file = "numpy-1.21.1-cp37-cp37m-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:1412aa0aec3e00bc23fbb8664d76552b4efde98fb71f60737c83efbac24112f1"},
{file = "numpy-1.21.1-cp37-cp37m-manylinux_2_5_i686.manylinux1_i686.whl", hash = "sha256:e46ceaff65609b5399163de5893d8f2a82d3c77d5e56d976c8b5fb01faa6b671"},
{file = "numpy-1.21.1-cp37-cp37m-manylinux_2_5_x86_64.manylinux1_x86_64.whl", hash = "sha256:c6a2324085dd52f96498419ba95b5777e40b6bcbc20088fddb9e8cbb58885e8e"},
{file = "numpy-1.21.1-cp37-cp37m-win32.whl", hash = "sha256:73101b2a1fef16602696d133db402a7e7586654682244344b8329cdcbbb82172"},
{file = "numpy-1.21.1-cp37-cp37m-win_amd64.whl", hash = "sha256:7a708a79c9a9d26904d1cca8d383bf869edf6f8e7650d85dbc77b041e8c5a0f8"},
{file = "numpy-1.21.1-cp38-cp38-macosx_10_9_universal2.whl", hash = "sha256:95b995d0c413f5d0428b3f880e8fe1660ff9396dcd1f9eedbc311f37b5652e16"},
{file = "numpy-1.21.1-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:635e6bd31c9fb3d475c8f44a089569070d10a9ef18ed13738b03049280281267"},
{file = "numpy-1.21.1-cp38-cp38-macosx_11_0_arm64.whl", hash = "sha256:4a3d5fb89bfe21be2ef47c0614b9c9c707b7362386c9a3ff1feae63e0267ccb6"},
{file = "numpy-1.21.1-cp38-cp38-manylinux_2_12_i686.manylinux2010_i686.whl", hash = "sha256:8a326af80e86d0e9ce92bcc1e65c8ff88297de4fa14ee936cb2293d414c9ec63"},
{file = "numpy-1.21.1-cp38-cp38-manylinux_2_12_x86_64.manylinux2010_x86_64.whl", hash = "sha256:791492091744b0fe390a6ce85cc1bf5149968ac7d5f0477288f78c89b385d9af"},
{file = "numpy-1.21.1-cp38-cp38-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:0318c465786c1f63ac05d7c4dbcecd4d2d7e13f0959b01b534ea1e92202235c5"},
{file = "numpy-1.21.1-cp38-cp38-manylinux_2_5_i686.manylinux1_i686.whl", hash = "sha256:9a513bd9c1551894ee3d31369f9b07460ef223694098cf27d399513415855b68"},
{file = "numpy-1.21.1-cp38-cp38-manylinux_2_5_x86_64.manylinux1_x86_64.whl", hash = "sha256:91c6f5fc58df1e0a3cc0c3a717bb3308ff850abdaa6d2d802573ee2b11f674a8"},
{file = "numpy-1.21.1-cp38-cp38-win32.whl", hash = "sha256:978010b68e17150db8765355d1ccdd450f9fc916824e8c4e35ee620590e234cd"},
{file = "numpy-1.21.1-cp38-cp38-win_amd64.whl", hash = "sha256:9749a40a5b22333467f02fe11edc98f022133ee1bfa8ab99bda5e5437b831214"},
{file = "numpy-1.21.1-cp39-cp39-macosx_10_9_universal2.whl", hash = "sha256:d7a4aeac3b94af92a9373d6e77b37691b86411f9745190d2c351f410ab3a791f"},
{file = "numpy-1.21.1-cp39-cp39-macosx_10_9_x86_64.whl", hash = "sha256:d9e7912a56108aba9b31df688a4c4f5cb0d9d3787386b87d504762b6754fbb1b"},
{file = "numpy-1.21.1-cp39-cp39-macosx_11_0_arm64.whl", hash = "sha256:25b40b98ebdd272bc3020935427a4530b7d60dfbe1ab9381a39147834e985eac"},
{file = "numpy-1.21.1-cp39-cp39-manylinux_2_12_i686.manylinux2010_i686.whl", hash = "sha256:8a92c5aea763d14ba9d6475803fc7904bda7decc2a0a68153f587ad82941fec1"},
{file = "numpy-1.21.1-cp39-cp39-manylinux_2_12_x86_64.manylinux2010_x86_64.whl", hash = "sha256:05a0f648eb28bae4bcb204e6fd14603de2908de982e761a2fc78efe0f19e96e1"},
{file = "numpy-1.21.1-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:f01f28075a92eede918b965e86e8f0ba7b7797a95aa8d35e1cc8821f5fc3ad6a"},
{file = "numpy-1.21.1-cp39-cp39-win32.whl", hash = "sha256:88c0b89ad1cc24a5efbb99ff9ab5db0f9a86e9cc50240177a571fbe9c2860ac2"},
{file = "numpy-1.21.1-cp39-cp39-win_amd64.whl", hash = "sha256:01721eefe70544d548425a07c80be8377096a54118070b8a62476866d5208e33"},
{file = "numpy-1.21.1-pp37-pypy37_pp73-manylinux_2_12_x86_64.manylinux2010_x86_64.whl", hash = "sha256:2d4d1de6e6fb3d28781c73fbde702ac97f03d79e4ffd6598b880b2d95d62ead4"},
{file = "numpy-1.21.1.zip", hash = "sha256:dff4af63638afcc57a3dfb9e4b26d434a7a602d225b42d746ea7fe2edf1342fd"},
]
packaging = [
{file = "packaging-21.3-py3-none-any.whl", hash = "sha256:ef103e05f519cdc783ae24ea4e2e0f508a9c99b2d4969652eed6a2e1ea5bd522"},
{file = "packaging-21.3.tar.gz", hash = "sha256:dd47c42927d89ab911e606518907cc2d3a1f38bbd026385970643f9c5b8ecfeb"},
]
pluggy = [
{file = "pluggy-1.0.0-py2.py3-none-any.whl", hash = "sha256:74134bbf457f031a36d68416e1509f34bd5ccc019f0bcc952c7b909d06b37bd3"},
{file = "pluggy-1.0.0.tar.gz", hash = "sha256:4224373bacce55f955a878bf9cfa763c1e360858e330072059e10bad68531159"},
]
py = [
{file = "py-1.11.0-py2.py3-none-any.whl", hash = "sha256:607c53218732647dff4acdfcd50cb62615cedf612e72d1724fb1a0cc6405b378"},
{file = "py-1.11.0.tar.gz", hash = "sha256:51c75c4126074b472f746a24399ad32f6053d1b34b68d2fa41e558e6f4a98719"},
]
pyparsing = [
{file = "pyparsing-3.0.6-py3-none-any.whl", hash = "sha256:04ff808a5b90911829c55c4e26f75fa5ca8a2f5f36aa3a51f68e27033341d3e4"},
{file = "pyparsing-3.0.6.tar.gz", hash = "sha256:d9bdec0013ef1eb5a84ab39a3b3868911598afa494f5faa038647101504e2b81"},
]
pytest = [
{file = "pytest-6.2.5-py3-none-any.whl", hash = "sha256:7310f8d27bc79ced999e760ca304d69f6ba6c6649c0b60fb0e04a4a77cacc134"},
{file = "pytest-6.2.5.tar.gz", hash = "sha256:131b36680866a76e6781d13f101efb86cf674ebb9762eb70d3082b6f29889e89"},
]
rdkit-pypi = [
{file = "rdkit_pypi-2021.9.2.1-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:157dd26be77f1c428507f3f1fea8e57d4d3009baf44c0b636b0b22e120784321"},
{file = "rdkit_pypi-2021.9.2.1-cp310-cp310-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:296d24a56eea3d3cca525a61334168be7808c0e5fad62b865639804b73a95723"},
{file = "rdkit_pypi-2021.9.2.1-cp36-cp36m-macosx_10_9_x86_64.whl", hash = "sha256:4fe41e6ee7e24b308e52065774884f9056e64fb02f8458a55a191d1b23dbd519"},
{file = "rdkit_pypi-2021.9.2.1-cp36-cp36m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:9d77cb64bfc9c662997999f83c814a3d7f47b404896cb5a2273c417cde39fa3a"},
{file = "rdkit_pypi-2021.9.2.1-cp36-cp36m-win_amd64.whl", hash = "sha256:bb9aa8fc4e5a19cb12967e3eb1f82e050ecd25feede74e14411ea34f7013c899"},
{file = "rdkit_pypi-2021.9.2.1-cp37-cp37m-macosx_10_9_x86_64.whl", hash = "sha256:964c758c1e4bb8bf8c53becc9a6fd6a83b9f338f66ce4ea3edc7b959e31d0d7e"},
{file = "rdkit_pypi-2021.9.2.1-cp37-cp37m-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:5b8a68cf340f90c3ef97006d59bb4a5030617527e867d0eee744a7561cbb86ab"},
{file = "rdkit_pypi-2021.9.2.1-cp37-cp37m-win_amd64.whl", hash = "sha256:215911fed139289725557b63af8313a50f18c390d790f97bb5e1c82fe71356b9"},
{file = "rdkit_pypi-2021.9.2.1-cp38-cp38-macosx_10_9_x86_64.whl", hash = "sha256:35c6de20dc8b80e17cb5b3cb8238c2d31b461df8515871a5f22c76cf80748369"},
{file = "rdkit_pypi-2021.9.2.1-cp38-cp38-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:c9c540e4091ca5628007bcd2959a48af6ae46e0c8f6b224a282c1b7575316f33"},
{file = "rdkit_pypi-2021.9.2.1-cp38-cp38-win_amd64.whl", hash = "sha256:8fd30f58be0187df25a96bdc68331720a5f2d0dbb2c8cfafe2ee8e9f17f08c02"},
{file = "rdkit_pypi-2021.9.2.1-cp39-cp39-macosx_10_9_x86_64.whl", hash = "sha256:4ca849811d3e1e99a5edd8ef0e49bd701d003bc46ec942715b060085e5e32234"},
{file = "rdkit_pypi-2021.9.2.1-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:6d118e383cdcb533965b34904d60ed433b34c39c4719f0e1a3a9d6c5ff6b44da"},
{file = "rdkit_pypi-2021.9.2.1-cp39-cp39-win_amd64.whl", hash = "sha256:3aebb05ceaa11d0ec60c6dc51b11fa27fe3c5a0ed7c7ead4d22d3f6a0f137b60"},
]
selfies = [
{file = "selfies-2.0.0-py3-none-any.whl", hash = "sha256:3cbe354dfb3ff7b506f493de2318930e4d627a664da902df47659fbba7ab3376"},
{file = "selfies-2.0.0.tar.gz", hash = "sha256:184d82d77f4cc9a788d4686600ab8a7dc7de650e6a6edf36c21eff516e719eb7"},
]
toml = [
{file = "toml-0.10.2-py2.py3-none-any.whl", hash = "sha256:806143ae5bfb6a3c6e736a764057db0e6a0e05e338b5630894a5f779cabb4f9b"},
{file = "toml-0.10.2.tar.gz", hash = "sha256:b3bda1d108d5dd99f4a20d24d9c348e91c4db7ab1b749200bded2f839ccbe68f"},
]