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Taka iwatobipen
peteWT
/ pandas_dbms.py
Created
August 21, 2012 01:19
— forked from catawbasam/pandas_dbms.py
Python PANDAS : load and save Dataframes to sqlite, MySQL, Oracle, Postgres
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| # -*- coding: utf-8 -*- | |
| """ | |
| example use of pandas with oracle mysql postgresql sqlite | |
| lightly tested. | |
| to do: | |
| save/restore index (how to check table existence? just do select count(*)?), | |
| finish odbc, | |
| add booleans?, | |
| sql_server? |
greglandrum
/ Using Feature Maps.ipynb
Last active
October 30, 2017 12:58
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bannanc
/ OE_toandfrom_RDK.ipynb
Last active
September 7, 2023 16:54
This is a jupyter notebook explaining how to convert molecules in OpenEye toolkits to the equivalent molecule in RDKit going both directions between toolkits.
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philopon
/ rdkit_installer.py
Last active
February 3, 2022 18:41
DEPRECATED. Please use https://pypi.org/project/rdkit-pypi/
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| import sys | |
| import os | |
| import requests | |
| import subprocess | |
| import shutil | |
| from logging import getLogger, StreamHandler, INFO | |
| logger = getLogger(__name__) | |
| logger.addHandler(StreamHandler()) |
greglandrum
/ Show_Ph4_Features_in_PyMOL.ipynb
Created
January 15, 2019 09:52
Show_Ph4_Features_in_PyMOL.ipynb
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rkakamilan
/ explainable_images_for_mols.ipynb
Created
December 13, 2019 19:11
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ptosco
/ FragmentOnBonds.ipynb
Created
January 8, 2020 11:47
Different ways to fragment a molecule on some bonds
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greglandrum
/ Kramer_AtomInvariants.ipynb
Last active
January 10, 2020 00:07
Kramer_AtomInvariants.ipynb
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greglandrum
/ Reaction Drawing Font Size.ipynb
Created
January 10, 2020 14:44
Reaction Drawing Font Size.ipynb
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