[go: up one dir, main page]
More Web Proxy on the site http://driver.im/
Skip to content

Issues: rdkit/rdkit

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

405 Open 2,922 Closed
405 Open 2,922 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Improvements in the 3D structure interaction in the ipython notebook Hackathon idea
#347 opened Oct 13, 2014 by greglandrum
Evalute MIF implementation Hackathon idea
#346 opened Oct 13, 2014 by greglandrum
Interactive SDF viewer Hackathon idea
#345 opened Oct 13, 2014 by greglandrum
1
molecular "wash" functionality Hackathon idea
#344 opened Oct 13, 2014 by greglandrum
Evaluate shape alignment code for inclusion in trunk Hackathon idea
#343 opened Oct 13, 2014 by greglandrum
PDF Report generator Hackathon idea
#342 opened Oct 13, 2014 by greglandrum
cannot round-trip aromatic CTABs bug
#340 opened Oct 5, 2014 by greglandrum
@greglandrum
1
bad canonical smiles case for conjugated double bonds with ring involvement bug
#336 opened Sep 29, 2014 by greglandrum
@greglandrum
install location of rdkit-config.cmake
#329 opened Sep 11, 2014 by wojdyr
1
Fail building on Windows 8
#328 opened Sep 8, 2014 by bslakman
2
Embedding conformers makes rdkit use UFF rather than MMFF
#325 opened Aug 31, 2014 by jandom
1
Unable to alignMol after MMFF minimization (UFF is okay)
#324 opened Aug 29, 2014 by jandom
5
Stereochemistry is lost when converting from SMILES to SDF in Python
#303 opened Jul 26, 2014 by skearnes
6
Use smaller ring closure numbers for complex systems. enhancement
#300 opened Jul 23, 2014 by greglandrum
@greglandrum
1
SmilesMolSupplier does not accept filestream in the constructor
#282 opened Jun 19, 2014 by malteseunderdog
1
RECAP removes atoms
#280 opened Jun 11, 2014 by nfirth
Getting "[Code/JavaWrappers/gmwrapper/CMakeFiles/GraphMolWrap.dir/GraphMolJavaJAVA_wrap.cxx.o] Error 1"
#276 opened Jun 9, 2014 by amixpal
7
MolToMol2File?
#253 opened Apr 26, 2014 by jandom
2
Bad handling of ring stereochemistry bug
#241 opened Apr 1, 2014 by greglandrum
@greglandrum
2
Rename the tags
#239 opened Mar 30, 2014 by cicku
4
reserved identifier violation enhancement good for beginners Good for people getting started with contributing
#203 opened Jan 27, 2014 by elfring
1
Incorrect radical creation on ReplaceSubstructs
#198 opened Jan 16, 2014 by malteseunderdog
3
Allow multiple color highlights in molecule rendering
#120 opened Oct 4, 2013 by greglandrum
SMARTS parse failure with branches in branches
#102 opened Sep 22, 2013 by greglandrum
cannot combine @ and @@ in SMARTS bug
#85 opened Aug 20, 2013 by greglandrum
@greglandrum
ProTip! Find all open issues with in progress development work with linked:pr.