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uibcdf
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OpenPharmacophore
An open library to work with pharmacophores.
https://www.uibcdf.org/OpenPharmacophore
MIT License
33
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10
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Added chemblwebresource client to docs environment
#36
Daniel-Ibarrola
closed
2 years ago
0
__init__.py added to each subfolder
#35
Daniel-Ibarrola
closed
2 years ago
0
Added __init__.py to utils folder
#34
Daniel-Ibarrola
closed
2 years ago
0
Dynamic Pharmacophores and Drawing
#33
Daniel-Ibarrola
closed
2 years ago
1
Pharmacophoric Point class
#32
Daniel-Ibarrola
closed
2 years ago
0
Added and updated tests
#31
Daniel-Ibarrola
closed
2 years ago
1
ZINC virtual screening
#30
Daniel-Ibarrola
closed
2 years ago
1
PubChem
#29
Daniel-Ibarrola
closed
2 years ago
1
ZINC database
#28
Daniel-Ibarrola
closed
2 years ago
1
Structured Based Pharmacophores
#27
Daniel-Ibarrola
closed
3 years ago
1
MOE pharmacophores
#26
Daniel-Ibarrola
closed
3 years ago
1
Virtual Screening
#25
Daniel-Ibarrola
closed
3 years ago
1
Direction Vectors
#24
Daniel-Ibarrola
closed
3 years ago
1
Added/updated tests and docstrings
#23
Daniel-Ibarrola
closed
3 years ago
1
Pharmacophore subclasses
#22
Daniel-Ibarrola
closed
3 years ago
1
Better way to show the documentation of a class in the API section
#21
dprada
opened
3 years ago
0
Export to pharmer format
#20
Daniel-Ibarrola
closed
3 years ago
1
A native format file is needed for a single pharmacophore and a library of pharmacophores
#19
dprada
opened
3 years ago
0
Working with Pharmer and Pharmit pharmacophores
#18
dprada
closed
2 years ago
1
Input of external pharmacophores 'autodetecting' the format
#17
dprada
opened
3 years ago
0
Adding _private_tools directory
#16
dprada
closed
3 years ago
0
ambermd channel is needed to install molsysmt as dependency
#15
dprada
closed
3 years ago
1
First attempt to include a class to define a Pharmacophore (with subclasses: features and shapes)
#14
dprada
closed
3 years ago
1
First attempt to find the common pharmacophores
#13
Daniel-Ibarrola
closed
3 years ago
0
Added a playground notebook for ligand-based pharmacophores
#12
Daniel-Ibarrola
closed
3 years ago
0
What would be the way to set the versions numbering?
#5
dprada
closed
3 years ago
6
setuptools or numpy.distutils for the setup.py file?
#4
dprada
closed
3 years ago
3
Should we use the MOLSSI Cookie-cutter?
#2
dprada
closed
3 years ago
5
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