Ecosyste.ms: Issues

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

GitHub / lmmentel/awesome-python-chemistry issues and pull requests

#69 - Add molmass

Pull Request - State: closed - Opened by covracer about 1 month ago

#68 - Changes section for NistChemPy

Pull Request - State: closed - Opened by IvanChernyshov about 1 month ago - 1 comment

#67 - NistChemPy: unsuitable section

Issue - State: closed - Opened by IvanChernyshov about 1 month ago

#66 - add cctk

Pull Request - State: closed - Opened by spackman about 1 month ago

#65 - add nistchempy

Pull Request - State: closed - Opened by spackman about 1 month ago - 1 comment

#64 - openbabel

Issue - State: closed - Opened by RolfSander about 2 months ago - 2 comments

#63 - add acpype to readme

Pull Request - State: closed - Opened by spackman 2 months ago

#62 - add IOData to readme

Pull Request - State: closed - Opened by spackman 2 months ago - 2 comments

#61 - add pytraj to readme

Pull Request - State: closed - Opened by spackman 2 months ago - 5 comments

#60 - MEXPLORER added

Pull Request - State: open - Opened by RolfSander 2 months ago - 5 comments

#59 - Update README.md with pybaselines

Pull Request - State: closed - Opened by weisscharlesj 3 months ago

#58 - Update README.md

Pull Request - State: closed - Opened by weisscharlesj 3 months ago

#57 - Deprecation of megnet | Replacement with matgl

Issue - State: open - Opened by lfsalasg 10 months ago - 1 comment

#56 - Add atomate2, chgnet, pymatviz, matbench-discovery

Pull Request - State: closed - Opened by janosh 11 months ago

#55 - 1. Adding AQME and ROBERT

Pull Request - State: closed - Opened by ddgunizar 11 months ago - 3 comments

#54 - Update README.md

Pull Request - State: closed - Opened by ddgunizar 11 months ago

#53 - end term pratical exam

Issue - State: closed - Opened by san0830 over 1 year ago - 1 comment

#52 - Remove whitespace

Pull Request - State: closed - Opened by berquist over 1 year ago

#51 - Add Psi4NumPy

Pull Request - State: closed - Opened by berquist over 1 year ago

#50 - CalcUS https://github.com/cyllab/ and https://jarvis.nist.gov/

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

#49 - Add spectrochempy

Pull Request - State: closed - Opened by andychase almost 2 years ago

#48 - add a related repo

Pull Request - State: closed - Opened by yangnianzu0515 almost 2 years ago

#47 - add a package

Pull Request - State: closed - Opened by yangnianzu0515 almost 2 years ago - 3 comments

#46 - A greeting from Nianzu!

Pull Request - State: closed - Opened by yangnianzu0515 almost 2 years ago - 2 comments

#45 - Add an entry for overreact

Pull Request - State: closed - Opened by schneiderfelipe about 2 years ago

#44 - Add chembl-downloader and drugbank-downloader

Pull Request - State: closed - Opened by cthoyt about 2 years ago - 1 comment

#42 - olorenchemengine

Pull Request - State: closed - Opened by davidzqhuang about 2 years ago

#40 - Added nmrglue library to general chemistry category.

Pull Request - State: closed - Opened by weisscharlesj over 2 years ago

#39 - Add Computational Thermodynamics to Learning Resources section

Pull Request - State: closed - Opened by weisscharlesj over 2 years ago

#38 - Added nmrglue to general chemistry section.

Pull Request - State: closed - Opened by weisscharlesj over 2 years ago

#38 - Added nmrglue to general chemistry section.

Pull Request - State: closed - Opened by weisscharlesj over 2 years ago

#37 - Added Learning Resources header and SciCompforChemists Jupyter book

Pull Request - State: closed - Opened by weisscharlesj over 2 years ago

#36 - Add MORFEUS

Pull Request - State: closed - Opened by SijieFu over 2 years ago - 1 comment

#35 - Broken link

Issue - State: closed - Opened by randompast over 2 years ago - 1 comment

#34 - Update README.md

Pull Request - State: closed - Opened by smutao over 2 years ago - 1 comment

#33 - Securty problem at mathchem web page.

Issue - State: open - Opened by rafaelpap over 2 years ago - 2 comments

#33 - Securty problem at mathchem web page.

Issue - State: open - Opened by rafaelpap over 2 years ago - 2 comments

#32 - Update README.md

Pull Request - State: closed - Opened by Sulstice over 2 years ago - 3 comments

#32 - Update README.md

Pull Request - State: closed - Opened by Sulstice over 2 years ago - 3 comments

#31 - Cantera?

Issue - State: closed - Opened by flutefreak7 almost 3 years ago - 1 comment

#31 - Cantera?

Issue - State: closed - Opened by flutefreak7 almost 3 years ago - 1 comment

#30 - Added ccinput

Pull Request - State: closed - Opened by RaphaelRobidas almost 3 years ago

#30 - Added ccinput

Pull Request - State: closed - Opened by RaphaelRobidas almost 3 years ago

#29 - Add link to awesome-small-molecule-ml

Pull Request - State: closed - Opened by benb111 almost 3 years ago - 1 comment

#29 - Add link to awesome-small-molecule-ml

Pull Request - State: closed - Opened by benb111 almost 3 years ago - 1 comment

#28 - Add XenonPy

Pull Request - State: closed - Opened by AcylSilane about 3 years ago - 1 comment

#28 - Add XenonPy

Pull Request - State: closed - Opened by AcylSilane about 3 years ago - 1 comment

#27 - Add DScribe

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

#26 - Add matminer

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

#26 - Add matminer

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

#25 - Added DDI, Polypharmacy and Synergy Survey

Pull Request - State: closed - Opened by benedekrozemberczki about 3 years ago - 1 comment

#24 - Added Summit, ML package for optimizing reactions

Pull Request - State: closed - Opened by marcosfelt about 3 years ago - 1 comment

#24 - Added Summit, ML package for optimizing reactions

Pull Request - State: closed - Opened by marcosfelt about 3 years ago - 1 comment

#23 - Add datamol

Pull Request - State: closed - Opened by hadim about 3 years ago - 6 comments

#23 - Add datamol

Pull Request - State: closed - Opened by hadim about 3 years ago - 6 comments

#22 - adding ChemFormula

Pull Request - State: closed - Opened by molshape about 3 years ago - 2 comments

#22 - adding ChemFormula

Pull Request - State: closed - Opened by molshape about 3 years ago - 2 comments

#21 - Add chemparse

Pull Request - State: closed - Opened by enricocid about 3 years ago - 2 comments

#21 - Add chemparse

Pull Request - State: closed - Opened by enricocid about 3 years ago - 2 comments

#19 - Add chemlib

Pull Request - State: closed - Opened by harirakul almost 4 years ago - 1 comment

#19 - Add chemlib

Pull Request - State: closed - Opened by harirakul almost 4 years ago - 1 comment

#18 - Add VLab packages

Pull Request - State: closed - Opened by jonlym over 4 years ago - 3 comments

#17 - Criteria to be on your list

Issue - State: closed - Opened by khoivan88 over 4 years ago - 2 comments

#16 - Add fromage

Pull Request - State: closed - Opened by m-rivera over 4 years ago

#16 - Add fromage

Pull Request - State: closed - Opened by m-rivera over 4 years ago

#15 - Add symfit

Pull Request - State: closed - Opened by martinp23 over 4 years ago - 1 comment

#15 - Add symfit

Pull Request - State: closed - Opened by martinp23 over 4 years ago - 1 comment

#14 - Add mogli module

Pull Request - State: closed - Opened by Fimi8 about 5 years ago - 1 comment

#13 - Add ASE and pyiron

Pull Request - State: closed - Opened by jan-janssen about 5 years ago - 1 comment

#12 - Add OPEM

Pull Request - State: closed - Opened by sepandhaghighi over 5 years ago

#12 - Add OPEM

Pull Request - State: closed - Opened by sepandhaghighi over 5 years ago

#11 - Add chainer-chemistry

Pull Request - State: closed - Opened by corochann over 5 years ago - 1 comment

#11 - Add chainer-chemistry

Pull Request - State: closed - Opened by corochann over 5 years ago - 1 comment

#10 - Add GPAW

Pull Request - State: closed - Opened by chem-william over 5 years ago - 1 comment

#10 - Add GPAW

Pull Request - State: closed - Opened by chem-william over 5 years ago - 1 comment

#9 - Add emmet package

Pull Request - State: closed - Opened by lmmentel over 5 years ago

#9 - Add emmet package

Pull Request - State: closed - Opened by lmmentel over 5 years ago

#8 - Add surfinpy

Pull Request - State: closed - Opened by symmy596 over 5 years ago

#8 - Add surfinpy

Pull Request - State: closed - Opened by symmy596 over 5 years ago

#7 - Adding GoodVibes package

Pull Request - State: closed - Opened by fdroessler almost 6 years ago - 1 comment

#7 - Adding GoodVibes package

Pull Request - State: closed - Opened by fdroessler almost 6 years ago - 1 comment

#6 - Adds Psi4

Pull Request - State: closed - Opened by dgasmith almost 6 years ago - 1 comment

#6 - Adds Psi4

Pull Request - State: closed - Opened by dgasmith almost 6 years ago - 1 comment

#5 - Added stk.

Pull Request - State: closed - Opened by lukasturcani almost 6 years ago - 1 comment

#5 - Added stk.

Pull Request - State: closed - Opened by lukasturcani almost 6 years ago - 1 comment

#4 - Update README.md

Pull Request - State: closed - Opened by hsiaoyi0504 over 6 years ago - 1 comment

#4 - Update README.md

Pull Request - State: closed - Opened by hsiaoyi0504 over 6 years ago - 1 comment

#3 - Added link to python package 'periodictable'

Pull Request - State: closed - Opened by bjodah over 6 years ago - 2 comments

#3 - Added link to python package 'periodictable'

Pull Request - State: closed - Opened by bjodah over 6 years ago - 2 comments

#2 - Consider merge two lists

Issue - State: closed - Opened by hsiaoyi0504 over 6 years ago - 4 comments

#1 - Python suggestions

Issue - State: closed - Opened by PaulieTutu about 7 years ago - 1 comment

#1 - Python suggestions

Issue - State: closed - Opened by PaulieTutu about 7 years ago - 1 comment