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GitHub / lich-uct / molpher-lib
C++/Python Library for Systematic Chemical Space Exploration
JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/lich-uct%2Fmolpher-lib
Stars: 16
Forks: 7
Open Issues: 5
License: other
Language: C++
Repo Size: 17.6 MB
Dependencies:
215
Created: almost 8 years ago
Updated: almost 1 year ago
Last pushed: over 2 years ago
Last synced: 7 months ago
Topics: anaconda, chemical-space, cheminformatics, chemistry, cplusplus, discovery, exploration, molpher-lib, python, python-library
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Dependencies
environment.yml
conda
- _libgcc_mutex 0.1
- _openmp_mutex 4.5
- alabaster 0.7.12
- alsa-lib 1.2.3
- argon2-cffi 20.1.0
- async_generator 1.10
- attrs 21.2.0
- babel 2.9.1
- backcall 0.2.0
- backports 1.0
- backports.functools_lru_cache 1.6.4
- binutils_impl_linux-64 2.35.1
- binutils_linux-64 2.35
- bleach 3.3.0
- boost 1.74.0
- boost-cpp 1.74.0
- breathe 4.30.0
- brotlipy 0.7.0
- bzip2 1.0.8
- c-ares 1.17.1
- ca-certificates 2021.5.30
- cairo 1.16.0
- certifi 2021.5.30
- cffi 1.14.5
- chardet 4.0.0
- cmake 3.20.3
- colorama 0.4.4
- cppunit 1.15.1
- cryptography 3.4.7
- cycler 0.10.0
- dbus 1.13.6
- decorator 5.0.9
- defusedxml 0.7.1
- docutils 0.17.1
- doxygen 1.9.1
- entrypoints 0.3
- expat 2.4.1
- fontconfig 2.13.1
- freetype 2.10.4
- gcc_impl_linux-64 9.3.0
- gcc_linux-64 9.3.0
- gettext 0.19.8.1
- glib 2.68.3
- glib-tools 2.68.3
- greenlet 1.1.0
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- gxx_impl_linux-64 9.3.0
- gxx_linux-64 9.3.0
- icu 68.1
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- lcms2 2.12
- ld_impl_linux-64 2.35.1
- lerc 2.2.1
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- packaging 20.9
- pandas 1.2.4
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- pip 21.1.2
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- python 3.9.4
- python-dateutil 2.8.1
- python_abi 3.9
- pytz 2021.1
- pyzmq 22.1.0
- qt 5.12.9
- qtconsole 5.1.0
- qtpy 1.9.0
- rdkit 2021.03.3
- readline 8.1
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- requests 2.25.1
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- send2trash 1.5.0
- setuptools 49.6.0
- six 1.16.0
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- sqlalchemy 1.4.18
- sqlite 3.35.5
- swig 3.0.12
- sysroot_linux-64 2.12
- tbb 2020.2
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- tornado 6.1
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