Open Issues Need Help
View All on GitHub Implement forceComputer statistics 4 days ago
enhancement good first issue
Code cleaning and documentation about 2 months ago
documentation enhancement help wanted good first issue style
Check molprops for internal consistency 3 months ago
enhancement help wanted
Add documentation for sensitivity analysis 3 months ago
documentation help wanted
Replace jsontree structures by rapidjson 3 months ago
enhancement help wanted style
Generalized Mean not implemented in act_openmm.py 3 months ago
bug good first issue
Variables should be made const where possible. 3 months ago
enhancement help wanted good first issue style
enhancement help wanted
Update XML code 4 months ago
good first issue style
Make pdf manual prettier 4 months ago
help wanted style
Add more tests for atomtypes and bondtypes 6 months ago
enhancement help wanted
Update google test, testutils, and cmake system. 6 months ago
enhancement help wanted
Make new RESP tests 6 months ago
enhancement help wanted
Implement MD sampling of dimers 7 months ago
enhancement help wanted
Resolve TODO and Fixme issues in the code 7 months ago
enhancement help wanted
Rename ChargeType to ChargeDistributionType 9 months ago
help wanted style
remove unnecessary flags from Alexandria commands 9 months ago
enhancement help wanted
Optimization of calculations 11 months ago
enhancement help wanted
enhancement help wanted
Make simple ACT GUI 12 months ago
AI Summary: Develop a simple graphical user interface (GUI) for the Alexandria Chemistry Toolkit (ACT), focusing on ease of use for creating force fields from scratch. The GUI should simplify the process described in the ACT manual.
Complexity:
4/5
enhancement help wanted