openforcefield openff-docs issues

openforcefield / openff-docs

Documentation for the Open Force Field ecosystem

https://docs.openforcefield.org/

MIT License

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issues

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Fix broken CI

#64 Yoshanuikabundi closed 1 month ago
4
Move FAQ from Toolkit

#63 Yoshanuikabundi closed 1 month ago
4
Pre-processing virtual site notebook failing

#62 mattwthompson opened 1 month ago
2
QCArchive notebook failing

#61 mattwthompson closed 2 months ago
5
Add GAFF-based example back

#60 mattwthompson closed 3 months ago
6
Bring OPC water example back online

#59 mattwthompson closed 3 months ago
9
Keyword tagging

#58 mattwthompson opened 3 months ago
0
Make ligand_in_water notebook optional

#57 Yoshanuikabundi closed 3 months ago
4
Downpin OpenMMForcefields to avoid AmberTools/OpenMM/OpenMMForceFields incompatibility

#56 j-wags closed 3 months ago
8
Update workshops for posterity

#55 Yoshanuikabundi closed 4 months ago
1
Set `OMP_NUM_THREADS` in preprocessing

#54 mattwthompson closed 3 months ago
9
Different behavior in different CI setups?

#53 mattwthompson opened 6 months ago
1
Fix nglview rendering

#52 Yoshanuikabundi closed 6 months ago
7
Skip gaff.ipynb

#51 Yoshanuikabundi closed 6 months ago
4
Update vignettes workshop

#50 Yoshanuikabundi closed 6 months ago
1
Update protein prep workshop page and materials

#49 Yoshanuikabundi closed 6 months ago
1
Update smirnoff.md zoom link

#48 Yoshanuikabundi closed 7 months ago
1
Update SMIRNOFF workshop materials

#47 Yoshanuikabundi closed 7 months ago
1
Build examples against Interchange 0.3.25

#46 mattwthompson closed 7 months ago
24
Move away from `jupyter notebook`

#45 mattwthompson closed 7 months ago
1
Skip failing notebooks

#44 Yoshanuikabundi closed 5 months ago
76
Fix lint CI

#43 Yoshanuikabundi closed 7 months ago
1
Remove nagl nbs from skipped notebooks

#42 lilyminium closed 7 months ago
19
Automatically skip notebooks that cannot be executed

#41 Yoshanuikabundi opened 7 months ago
0
Add vignettes materials

#40 Yoshanuikabundi closed 7 months ago
1
Add 2024 protein_prep workshop materials

#39 Yoshanuikabundi closed 8 months ago
1
Fix building notebooks

#38 mattwthompson closed 7 months ago
21
Fix "linting" action

#37 mattwthompson closed 8 months ago
5
Use less-likely-to-be-buggy Interchange

#36 mattwthompson closed 8 months ago
10
Add "env" to mamba install command for SMIRNOFF workshop

#35 j-wags closed 8 months ago
2
Add workshop materials for SMIRNOFF workshop

#34 Yoshanuikabundi closed 8 months ago
1
Reformat dates in workshop pages

#33 Yoshanuikabundi closed 9 months ago
1
2024 OpenFF workshop pages

#32 Yoshanuikabundi closed 9 months ago
1
mambaforge is now miniforge

#31 mikemhenry opened 10 months ago
3
fix issue #29

#30 mikemhenry closed 9 months ago
2
colab notebooks broken by upstream package changes

#29 mikemhenry opened 10 months ago
1
Soften Apple Silicon recommendation

#28 mattwthompson closed 10 months ago
1
Get notebooks building again

#27 Yoshanuikabundi closed 7 months ago
46
Made traceback in version check failure more verbose

#26 mattwthompson closed 9 months ago
1
Use Conda Forge DGL in examples environment

#25 Yoshanuikabundi closed 7 months ago
7
Update installation instructions

#24 mattwthompson closed 9 months ago
2
Add BespokeFit link to examples page

#23 j-wags opened 1 year ago
0
More clearly communicate that clicking "download notebook" on examples will also provide an environment yaml

#22 j-wags opened 1 year ago
0
Example of a use case that requires `Interchange.from_openmm`

#65 j-wags opened 1 year ago
0
RTD broken

#21 mattwthompson closed 1 year ago
4
Should notebooks be rendered with access to an OpenEye license?

#20 mattwthompson opened 1 year ago
0
Add example/cookbook/tutorial demonstrating ways to create/modify a `ForceField`

#19 mattwthompson opened 1 year ago
0
Cache branches

#18 Yoshanuikabundi closed 1 year ago
58
Cache branches

#17 Yoshanuikabundi closed 1 year ago
0
Switch to using branches instead of folders for different caches

#16 Yoshanuikabundi closed 1 year ago
4