issues
search
materialsvirtuallab
/
megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
BSD 3-Clause "New" or "Revised" License
502
stars
156
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
unlockNN module for uncertainty quantification of MEGNet
#338
sgbaird
opened
2 years ago
5
Bump flake8-black from 0.2.3 to 0.2.4
#337
dependabot[bot]
closed
2 years ago
1
Bump coverage from 6.2 to 6.3
#336
dependabot[bot]
closed
2 years ago
1
Bump pymatgen from 2022.1.9 to 2022.1.24
#335
dependabot[bot]
closed
2 years ago
1
Bump pandas from 1.3.5 to 1.4.0
#334
dependabot[bot]
closed
2 years ago
2
Might be nice to see MEGNet on matbench
#333
sgbaird
opened
2 years ago
7
installation issue (RDKit and openbabel must be installed)
#332
heliogabale
closed
2 years ago
3
Bump pymatgen from 2022.1.9 to 2022.1.20
#331
dependabot[bot]
closed
2 years ago
1
Bump monty from 2021.12.1 to 2022.1.19
#330
dependabot[bot]
closed
2 years ago
1
Bump numpy from 1.22.0 to 1.22.1
#329
dependabot[bot]
closed
2 years ago
1
Bump monty from 2021.12.1 to 2022.1.12.1
#328
dependabot[bot]
closed
2 years ago
1
Bump mypy from 0.921 to 0.931
#327
dependabot[bot]
closed
2 years ago
1
Bump pymatgen from 2022.0.16 to 2022.1.9
#326
dependabot[bot]
closed
2 years ago
1
Bump types-tabulate from 0.8.3 to 0.8.5
#325
dependabot[bot]
closed
2 years ago
1
Bump numpy from 1.21.5 to 1.22.0
#324
dependabot[bot]
closed
2 years ago
1
Bump types-tabulate from 0.8.3 to 0.8.4
#323
dependabot[bot]
closed
2 years ago
1
Multi classification task
#322
heniar
closed
2 years ago
5
add a convertion step before GraphCrystalDisordered training
#321
liuxiaotong15
opened
2 years ago
2
Bump mypy from 0.921 to 0.930
#320
dependabot[bot]
closed
2 years ago
1
Bump mypy from 0.910 to 0.921
#319
dependabot[bot]
closed
2 years ago
0
Bump numpy from 1.21.4 to 1.21.5
#318
dependabot[bot]
closed
2 years ago
0
could you please provide an example to predict disordered structure?
#317
liuxiaotong15
opened
2 years ago
12
Bump mypy from 0.910 to 0.920
#316
dependabot[bot]
closed
2 years ago
1
Bump pymatgen from 2022.0.16 to 2022.0.17
#315
dependabot[bot]
closed
2 years ago
2
Bump pandas from 1.3.4 to 1.3.5
#314
dependabot[bot]
closed
2 years ago
0
Multi-output Regression
#313
Pravanop
opened
2 years ago
4
Bump pylint from 2.12.1 to 2.12.2
#312
dependabot[bot]
closed
2 years ago
0
Bump monty from 2021.8.17 to 2021.12.1
#311
dependabot[bot]
closed
2 years ago
0
Bump coverage from 5.5 to 6.2
#310
dependabot[bot]
closed
2 years ago
1
Bump pylint from 2.11.1 to 2.12.1
#309
dependabot[bot]
closed
2 years ago
1
Bump types-tabulate from 0.8.2 to 0.8.3
#308
dependabot[bot]
closed
2 years ago
0
Fix openbabel imports for openbabel 3.x in utiles/molecule.py
#307
chgaul
closed
2 years ago
1
import pybel error
#306
GalaxyRover59
closed
2 years ago
1
Bump coveralls from 3.1.0 to 3.3.1
#305
dependabot[bot]
closed
2 years ago
1
Bump tensorflow from 2.6.0 to 2.7.0
#304
dependabot[bot]
closed
2 years ago
0
Bump coverage from 5.5 to 6.1.2
#303
dependabot[bot]
closed
2 years ago
1
Bump tensorflow from 2.6.0 to 2.6.1
#302
dependabot[bot]
closed
2 years ago
1
Can MEGNet be made end-to-end differentiable wrt atomic positions of atoms?
#301
CompRhys
opened
2 years ago
8
Bump numpy from 1.19.5 to 1.21.4
#300
dependabot[bot]
closed
2 years ago
0
Bump coveralls from 3.1.0 to 3.3.0
#299
dependabot[bot]
closed
2 years ago
1
Bump coverage from 5.5 to 6.1.1
#298
dependabot[bot]
closed
2 years ago
1
Bump pymatgen from 2021.2.8.1 to 2022.0.16
#297
dependabot[bot]
closed
2 years ago
0
Bump pymatgen from 2021.2.8.1 to 2022.0.15
#296
dependabot[bot]
closed
2 years ago
1
Bump numpy from 1.19.5 to 1.21.3
#295
dependabot[bot]
closed
2 years ago
1
Bump pandas from 1.2.4 to 1.3.4
#294
dependabot[bot]
closed
2 years ago
0
REST query returned with error status code 403.
#293
Yuxing0926
closed
3 years ago
2
Bump coverage from 5.5 to 6.0.2
#292
dependabot[bot]
closed
2 years ago
1
Bump coverage from 5.5 to 6.0.1
#291
dependabot[bot]
closed
3 years ago
1
Bump coverage from 5.5 to 6.0
#290
dependabot[bot]
closed
3 years ago
1
Bump pytest-cov from 2.12.1 to 3.0.0
#289
dependabot[bot]
closed
2 years ago
1
Previous
Next