mcs07 PubChemPy issues - Githubissues

mcs07 / PubChemPy

Python wrapper for the PubChem PUG REST API.

http://pubchempy.readthedocs.io

MIT License

372 stars 106 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Questions about "Chemical and Physical Properties"

#88 shutttttdown opened 1 month ago
0
Inconsistencies in Isomeric SMILES Data Retrieval Using PubChemPy Compared to Previous Data

#87 kyokim-mpu opened 1 month ago
0
Ask for help about how to find Pubchem CID of many compounds by CAS numbers

#86 Tangbbmc opened 2 months ago
3
Fix syntax

#85 pjknowles opened 3 months ago
0
Get compounds function is too slow

#84 sumone-compbio closed 3 months ago
9
Neither NAMES nor CAS hyphened numbers, verified on PubChem, seem to retrieve many compounds' SMILES

#83 ecojimb opened 5 months ago
0
Can not generate SMILES of compounds from known CAS numbers

#82 MathewGolding opened 5 months ago
4
Certain compounds cannot be retrieved by name anymore

#81 gmboyer opened 7 months ago
0
Obtaining hazard classes and categories

#80 azalewski1 opened 9 months ago
0
Minor python syntax problem

#79 pjknowles opened 9 months ago
0
Fixing failed search example pcp.get_compounds('CC', searchtype='superstructure', listkey_count=3)

#78 bertiewooster opened 12 months ago
0
Assay.from_aid().to_dict() fails for multiple AIDs

#77 watplatt opened 1 year ago
0
obtaining CCS values

#76 pbjarterot opened 1 year ago
0
Timeout

#75 Academich opened 1 year ago
0
obtaining compounds by property

#74 Jameel9 opened 1 year ago
0
Is it possible to list the position of each functional group (atom number of key atom) in iupac name?

#73 sjchasel opened 1 year ago
0
Is it possible to get 3D coordinates of ligand using CID or SID?

#72 drorhunvural opened 1 year ago
1
Is it possible to calculate the PMI of the compounds?

#71 YojanaGadiya opened 1 year ago
0
Errors in the encoding of some bits

#70 salvogalati opened 1 year ago
1
Using the search bar

#69 NadavQuris opened 1 year ago
0
pubchempy missing results available on the pubchem web page

#68 drmatthewclark opened 1 year ago
2
Dose

#67 PARODBE opened 2 years ago
0
Search with InChI and InChI key not working

#66 voidpunk closed 2 years ago
2
update/adjustment of notebooks to Python 3

#65 nbehrnd opened 2 years ago
0
API down for SMILES Search?

#64 jannisborn closed 2 years ago
2
Get SDF coordinates

#63 areyesromero opened 2 years ago
1
to_dic bug fixed

#60 HYUNSEONG-KIM opened 2 years ago
0
to_dic bugs on Substance

#59 HYUNSEONG-KIM opened 2 years ago
0
update print instructions in the documentation

#58 nbehrnd opened 2 years ago
0
Feature suggest, documentation on readthedocs.io w/ pdf

#57 nbehrnd opened 2 years ago
0
Minor adjustments to work with Python3

#56 nbehrnd closed 2 years ago
0
JSON Decode Error when using similarity search

#55 Cajac102 opened 2 years ago
2
Extracting Dielectric constant

#54 raghavven opened 3 years ago
1
Fix 'is not' with a literal'

#53 mehr-licht opened 3 years ago
2
Fix warning: "is not" with a literal. Did you mean "!="?

#52 mehr-licht opened 3 years ago
0
Generating Pubchem Binary Fingerprint

#51 hyojin0912 opened 3 years ago
0
How to use this code for generate input file form pubchem

#50 debanjansen48 opened 3 years ago
0
Unable to get 3D structures for some molecules using Pubchempy

#49 ffzffz08 opened 3 years ago
3
pubchempy.ServerError: 'PUGREST.ServerError'

#48 dilipkrishnamurthy closed 3 years ago
1
Textual Descriptions

#47 FL33TW00D closed 4 years ago
2
How to retrieve compounds' physical property?

#46 Yaoyx opened 4 years ago
4
ImportError: Failed to import test module: pubchempy_test

#45 kevinsmia1939 opened 4 years ago
0
substance SID is being returned as compound CID

#44 atloo1 closed 3 years ago
1
Add support for fastidentity searchtype to enhance search capabilities

#43 BalooRM opened 4 years ago
0
Search by canonical SMILES to retrieve all stereoisomers

#42 BalooRM opened 4 years ago
1
Add get_cas() and self.cas as a property for class Compound

#41 khoivan88 opened 4 years ago
0
How to set proxy for this lib instead of global proxy？

#40 Sturmfrei-I opened 4 years ago
0
SMILES string full of tungsten

#39 jtd1g16 closed 4 years ago
1
Retrieving MoA (mechanism of action)

#38 phosseini opened 5 years ago
1
Search by CAS #?

#37 theman0605 closed 5 years ago
2