snurr-group mofid issues

snurr-group / mofid

A system for rapid identification and analysis of metal-organic frameworks

https://snurr-group.github.io/mofid/

GNU General Public License v2.0

42 stars 24 forks source link

issues

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Is `MOFid` invertible?

#38 adosar opened 6 days ago
0
Merge MOFid 2024

#37 dweber2022 closed 3 weeks ago
1
Unable to build with gcc11.3

#36 Yong-Q closed 3 weeks ago
1
Unable to build with GCC 14

#35 dweber2022 opened 2 months ago
0
`extract_topology`: Specify nets that are Non-crystallgraphic

#34 KunhuanLiu opened 3 months ago
0
Update Open Babel dependency & Continuous Integration

#33 KunhuanLiu closed 3 weeks ago
0
Clarification on Handling Allnode Topology in Web vs. Local Run in mofid

#32 Xuwznln closed 4 months ago
4
Inconsistent output between local mofid and webmofid

#31 kbsezginel opened 1 year ago
1
Issue running `pip install .` for mofid in Google Colab

#30 ngkayjay opened 1 year ago
3
Updated README

#29 Andrew-S-Rosen closed 2 years ago
1
Containerize mofid package

#28 bbucior closed 2 years ago
5
Complete MOFid with extraneous error flag

#27 Andrew-S-Rosen closed 3 years ago
2
'Unknown' and 'NA' topologies on CoRE MOF dataset

#26 ThysBallard closed 4 years ago
1
Add a verbosity flag to Python interface

#25 Andrew-S-Rosen opened 4 years ago
0
Rare AssertionError in Python interface

#24 Andrew-S-Rosen closed 4 years ago
3
Remove set_paths.py requirement

#23 Andrew-S-Rosen opened 5 years ago
0
Add new test case and reorganize test files

#22 Andrew-S-Rosen closed 5 years ago
1
Revisiting slurm scripts

#21 bbucior closed 5 years ago
1
Cleanup backlog of new features

#20 bbucior closed 5 years ago
0
Rename NoSBU algorithm

#19 bbucior closed 5 years ago
0
pip install can be slow

#18 bbucior opened 5 years ago
1
Plot roundtrip validations

#17 bbucior closed 5 years ago
0
More Pythonic (and user-friendly) handling of MOFid input and output

#16 Andrew-S-Rosen closed 5 years ago
1
Clean up stderr

#15 bbucior closed 5 years ago
2
Write MOFid and MOFkey

#14 bbucior closed 5 years ago
0
Update Open Babel

#13 bbucior closed 3 weeks ago
0
Clean up references to MOFFLES

#12 bbucior closed 5 years ago
0
Analyze errors

#11 bbucior closed 5 years ago
0
Write more formats

#10 bbucior closed 5 years ago
1
Bundle Systre

#9 bbucior closed 5 years ago
1
Inconsistent aromaticity of N-heterocycles

#8 bbucior opened 5 years ago
0
Document the round-tripping errors

#7 bbucior closed 5 years ago
0
moffles --> mofid

#6 Andrew-S-Rosen closed 5 years ago
1
Use single node topology by default

#5 bbucior closed 5 years ago
0
Add Py2/3 support, Eigen, and other cleanup

#4 Andrew-S-Rosen closed 5 years ago
2
Cleaning up folders

#3 Andrew-S-Rosen closed 5 years ago
3
Fix DLL's on Cygwin

#2 bbucior closed 5 years ago
0
More deconstruction algorithms

#1 bbucior closed 5 years ago
0