Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / mcs07/PubChemPy issues and pull requests

#89 - SSLCertVerificationError while running the simplest of PubChemPy examples

Issue - State: open - Opened by aromring about 2 months ago - 15 comments

#85 - Fix syntax

Pull Request - State: open - Opened by pjknowles 6 months ago

#84 - Get compounds function is too slow

Issue - State: closed - Opened by sumone-compbio 7 months ago - 9 comments

#82 - Can not generate SMILES of compounds from known CAS numbers

Issue - State: closed - Opened by MathewGolding 8 months ago - 4 comments

#81 - Certain compounds cannot be retrieved by name anymore

Issue - State: open - Opened by gmboyer 10 months ago

#80 - Obtaining hazard classes and categories

Issue - State: open - Opened by azalewski1 12 months ago

#77 - Assay.from_aid().to_dict() fails for multiple AIDs

Issue - State: open - Opened by watplatt about 1 year ago

#76 - obtaining CCS values

Issue - State: open - Opened by pbjarterot over 1 year ago

#75 - Timeout

Issue - State: open - Opened by Academich over 1 year ago

#74 - obtaining compounds by property

Issue - State: open - Opened by Jameel9 over 1 year ago

#72 - Is it possible to get 3D coordinates of ligand using CID or SID?

Issue - State: open - Opened by drorhunvural almost 2 years ago - 1 comment

#71 - Is it possible to calculate the PMI of the compounds?

Issue - State: open - Opened by YojanaGadiya almost 2 years ago

#70 - Errors in the encoding of some bits

Issue - State: open - Opened by salvogalati almost 2 years ago - 1 comment

#69 - Using the search bar

Issue - State: open - Opened by NadavQuris almost 2 years ago

#68 - pubchempy missing results available on the pubchem web page

Issue - State: open - Opened by drmatthewclark about 2 years ago - 2 comments

#67 - Dose

Issue - State: open - Opened by PARODBE over 2 years ago

#66 - Search with InChI and InChI key not working

Issue - State: closed - Opened by voidpunk over 2 years ago - 2 comments

#65 - update/adjustment of notebooks to Python 3

Pull Request - State: open - Opened by nbehrnd over 2 years ago

#64 - API down for SMILES Search?

Issue - State: closed - Opened by jannisborn over 2 years ago - 2 comments

#63 - Get SDF coordinates

Issue - State: open - Opened by areyesromero almost 3 years ago - 1 comment

#60 - to_dic bug fixed

Pull Request - State: open - Opened by HYUNSEONG-KIM about 3 years ago

#59 - to_dic bugs on Substance

Issue - State: open - Opened by HYUNSEONG-KIM about 3 years ago

#58 - update print instructions in the documentation

Pull Request - State: open - Opened by nbehrnd about 3 years ago

#57 - Feature suggest, documentation on readthedocs.io w/ pdf

Issue - State: open - Opened by nbehrnd about 3 years ago

#56 - Minor adjustments to work with Python3

Pull Request - State: closed - Opened by nbehrnd about 3 years ago

#55 - JSON Decode Error when using similarity search

Issue - State: open - Opened by Cajac102 about 3 years ago - 2 comments

#54 - Extracting Dielectric constant

Issue - State: open - Opened by raghavven over 3 years ago - 1 comment

#53 - Fix 'is not' with a literal'

Pull Request - State: open - Opened by mehr-licht over 3 years ago - 2 comments

#52 - Fix warning: "is not" with a literal. Did you mean "!="?

Issue - State: open - Opened by mehr-licht over 3 years ago

#51 - Generating Pubchem Binary Fingerprint

Issue - State: open - Opened by hyojin0912 over 3 years ago

#50 - How to use this code for generate input file form pubchem

Issue - State: open - Opened by debanjansen48 almost 4 years ago

#49 - Unable to get 3D structures for some molecules using Pubchempy

Issue - State: open - Opened by ffzffz08 about 4 years ago - 3 comments

#48 - pubchempy.ServerError: 'PUGREST.ServerError'

Issue - State: closed - Opened by dilipkrishnamurthy about 4 years ago - 1 comment

#47 - Textual Descriptions

Issue - State: closed - Opened by FL33TW00D about 4 years ago - 2 comments

#46 - How to retrieve compounds' physical property?

Issue - State: open - Opened by Yaoyx over 4 years ago - 4 comments

#44 - substance SID is being returned as compound CID

Issue - State: closed - Opened by atloo1 over 4 years ago - 1 comment

#43 - Add support for fastidentity searchtype to enhance search capabilities

Pull Request - State: open - Opened by BalooRM over 4 years ago

#42 - Search by canonical SMILES to retrieve all stereoisomers

Issue - State: open - Opened by BalooRM over 4 years ago - 1 comment

#41 - Add get_cas() and self.cas as a property for class Compound

Pull Request - State: open - Opened by khoivan88 over 4 years ago

#40 - How to set proxy for this lib instead of global proxy？

Issue - State: open - Opened by Sturmfrei-I almost 5 years ago

#39 - SMILES string full of tungsten

Issue - State: closed - Opened by jtd1g16 almost 5 years ago - 1 comment

#38 - Retrieving MoA (mechanism of action)

Issue - State: open - Opened by phosseini over 5 years ago - 1 comment

#37 - Search by CAS #?

Issue - State: closed - Opened by theman0605 over 5 years ago - 2 comments
Labels: question

#36 - Returncode if the structure does not exist

Issue - State: open - Opened by spirit01 over 5 years ago - 1 comment

#35 - Conda installation problems

Issue - State: closed - Opened by S1mHub over 5 years ago - 2 comments

#34 - SSL error

Issue - State: closed - Opened by jacobdp24 almost 6 years ago - 1 comment

#33 - BadRequestError

Issue - State: open - Opened by kgChem about 6 years ago - 7 comments
Labels: documentation

#32 - search by name function is not working for tetrabamate

Issue - State: closed - Opened by MALKAKER over 6 years ago - 1 comment

#31 - PubChemPy stopped working today

Issue - State: closed - Opened by daochenw over 6 years ago - 3 comments

#30 - Getting 3D coordinates

Issue - State: open - Opened by kumrud over 6 years ago - 1 comment

#29 - Added `find_compounds()` functionality

Pull Request - State: closed - Opened by ConstantinoSchillebeeckx over 6 years ago

#28 - testing glucose example

Issue - State: open - Opened by pgreisen almost 7 years ago - 1 comment
Labels: documentation

#27 - the sdf record approach recommend

Issue - State: open - Opened by a358003542 almost 7 years ago

#26 - how to download several compounds at once?

Issue - State: closed - Opened by UnixJunkie almost 7 years ago - 6 comments

#25 - Broken services or IP ban

Issue - State: open - Opened by StephaneKazmierczak about 7 years ago - 1 comment

#24 - Is there a way to get all the SMILES for an assay?

Issue - State: open - Opened by miguelroboso over 7 years ago

#23 - Switch to using pytest for tests

Pull Request - State: closed - Opened by mcs07 over 7 years ago

#22 - Decode CACTVS fingerprint to binary string

Pull Request - State: closed - Opened by mcs07 over 7 years ago

#21 - Decode fingerprint

Pull Request - State: closed - Opened by RickardSjogren over 7 years ago - 1 comment

#20 - Two substance tests out-of-date

Issue - State: closed - Opened by RickardSjogren over 7 years ago
Labels: bug

#19 - Allow requests with xref input

Pull Request - State: closed - Opened by RickardSjogren over 7 years ago - 1 comment

#18 - Xref-queries always 404

Issue - State: closed - Opened by RickardSjogren over 7 years ago - 1 comment
Labels: bug

#17 - add get_sdf function

Pull Request - State: closed - Opened by hsiaoyi0504 almost 8 years ago - 1 comment

#16 - Fetch Solubility data

Issue - State: closed - Opened by rraadd88 about 8 years ago - 2 comments
Labels: question

#15 - Discrepancy between the CACTVS fingerprint spec and Compound.fingerprint

Issue - State: closed - Opened by coreymhudson about 8 years ago - 1 comment
Labels: enhancement

#13 - TypeError when trying to download a compund with None as cid

Issue - State: closed - Opened by llazzaro over 8 years ago - 1 comment
Labels: bug

#12 - get_compounds no longer returns multiple hits

Issue - State: closed - Opened by supern8ent over 8 years ago - 2 comments
Labels: question

#11 - Using pubchempy / urllib behind proxy

Issue - State: closed - Opened by timothymillar over 8 years ago - 1 comment
Labels: enhancement

#10 - Get full assays data

Issue - State: open - Opened by bjonnh over 8 years ago - 3 comments

#9 - How to get the chemical_vendors

Issue - State: closed - Opened by beyondpie almost 9 years ago - 3 comments
Labels: question

#8 - How to get the PubChem similarities between two compounds?

Issue - State: closed - Opened by beyondpie almost 9 years ago - 2 comments
Labels: question

#7 - Add syntax highlighting and output to README example.

Pull Request - State: closed - Opened by bjodah about 9 years ago

#6 - Fix error in extreme edge case

Pull Request - State: closed - Opened by jalavosus over 9 years ago - 1 comment

#5 - On certain Compounds, the atoms() function fails

Issue - State: closed - Opened by jalavosus over 9 years ago
Labels: bug

#4 - Add backwards-compatible Python 3 support

Pull Request - State: closed - Opened by mcs07 over 10 years ago

#3 - Migrating to Python3

Pull Request - State: closed - Opened by ghost over 10 years ago - 2 comments

#2 - Pandas Series

Pull Request - State: closed - Opened by zachcp over 10 years ago - 4 comments

#1 - fix ccordinate type recognition

Pull Request - State: closed - Opened by zachcp over 10 years ago