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mcs07
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PubChemPy
Python wrapper for the PubChem PUG REST API.
http://pubchempy.readthedocs.io
MIT License
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Search by CAS #?
#37
theman0605
closed
5 years ago
2
Returncode if the structure does not exist
#36
spirit01
opened
5 years ago
1
Conda installation problems
#35
S1mHub
closed
4 years ago
2
SSL error
#34
jacobdp24
closed
5 years ago
1
BadRequestError
#33
kgChem
opened
6 years ago
7
search by name function is not working for tetrabamate
#32
MALKAKER
closed
4 years ago
1
PubChemPy stopped working today
#31
daochenw
closed
6 years ago
3
Getting 3D coordinates
#30
kumrud
opened
6 years ago
1
Added `find_compounds()` functionality
#29
ConstantinoSchillebeeckx
closed
3 years ago
0
testing glucose example
#28
pgreisen
opened
6 years ago
1
the sdf record approach recommend
#27
a358003542
opened
6 years ago
0
how to download several compounds at once?
#26
UnixJunkie
closed
2 years ago
6
Broken services or IP ban
#25
StephaneKazmierczak
opened
7 years ago
1
Is there a way to get all the SMILES for an assay?
#24
miguelroboso
opened
7 years ago
0
Switch to using pytest for tests
#23
mcs07
closed
7 years ago
0
Decode CACTVS fingerprint to binary string
#22
mcs07
closed
7 years ago
0
Decode fingerprint
#21
RickardSjogren
closed
7 years ago
1
Two substance tests out-of-date
#20
RickardSjogren
closed
7 years ago
0
Allow requests with xref input
#19
RickardSjogren
closed
7 years ago
1
Xref-queries always 404
#18
RickardSjogren
closed
7 years ago
1
add get_sdf function
#17
hsiaoyi0504
closed
7 years ago
1
Fetch Solubility data
#16
rraadd88
closed
7 years ago
2
Discrepancy between the CACTVS fingerprint spec and Compound.fingerprint
#15
coreymhudson
closed
7 years ago
1
fix #13 check if identifier is None and raise an exception to let the user know that the identifier is invalid
#14
llazzaro
closed
8 years ago
2
TypeError when trying to download a compund with None as cid
#13
llazzaro
closed
8 years ago
1
get_compounds no longer returns multiple hits
#12
supern8ent
closed
8 years ago
2
Using pubchempy / urllib behind proxy
#11
timothymillar
closed
8 years ago
1
Get full assays data
#10
bjonnh
opened
8 years ago
3
How to get the chemical_vendors
#9
beyondpie
closed
8 years ago
3
How to get the PubChem similarities between two compounds?
#8
beyondpie
closed
8 years ago
2
Add syntax highlighting and output to README example.
#7
bjodah
closed
8 years ago
0
Fix error in extreme edge case
#6
jalavosus
closed
9 years ago
1
On certain Compounds, the atoms() function fails
#5
jalavosus
closed
9 years ago
0
Add backwards-compatible Python 3 support
#4
mcs07
closed
10 years ago
0
Migrating to Python3
#3
ghost
closed
10 years ago
2
Pandas Series
#2
zachcp
closed
10 years ago
4
fix ccordinate type recognition
#1
zachcp
closed
10 years ago
0
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