-
Notifications
You must be signed in to change notification settings - Fork 143
Issues: mir-group/nequip
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.
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
Author
Label
Projects
Milestones
Assignee
Sort
Issues list
🌟 [FEATURE]Colab Tutorial missing , please add it
enhancement
New feature or request
#471
opened Nov 15, 2024 by
miroi
🌟 [FEATURE]Integration to ASE (documentation missing)
enhancement
New feature or request
#470
opened Nov 15, 2024 by
miroi
🐛 [BUG] NotADirectoryError when attempting to run git (#264 again)
bug
Something isn't working
#466
opened Oct 17, 2024 by
fxcoudert
🐛 [BUG] Smaller dataset when using initialize_from_state
bug
Something isn't working
#460
opened Sep 6, 2024 by
wwz171
❓ [QUESTION] how to get the model.pth input shape ?
question
Further information is requested
#458
opened Aug 21, 2024 by
WorldPeace123
Multiple Training / Validation Datasets🌟 [FEATURE]
enhancement
New feature or request
#441
opened Jul 8, 2024 by
tgmaxson
New installation will not run- "Failed to build object with prefix Something isn't working
dataset
using builder NpzDataset
"🐛 [BUG]
bug
#440
opened Jul 3, 2024 by
tft225
❓ [QUESTION] How to use hdf5 dataset in config files?
question
Further information is requested
#422
opened Apr 22, 2024 by
OlfwayAdbayIgbay
🌟 [FEATURE] Custom properties
enhancement
New feature or request
#414
opened Mar 22, 2024 by
ThePauliPrinciple
❓ [QUESTION]how can I use the ase calculator for testing ?
question
Further information is requested
#401
opened Jan 10, 2024 by
StellarOdys2ey
how to choose nosehoover the value of nvt_q❓ [QUESTION]
question
Further information is requested
#397
opened Dec 21, 2023 by
hanjiahe1999
bugs with "initialize_from_state"🐛 [BUG]
bug
Something isn't working
#390
opened Dec 2, 2023 by
wwwjjj123yyyy
How to do custom EarlyStopping?❓ [QUESTION]
question
Further information is requested
#380
opened Oct 26, 2023 by
ThePauliPrinciple
❓ [QUESTION] Custom layer with control structure not supported?
question
Further information is requested
#356
opened Jul 28, 2023 by
feifzhou
🐛 [BUG] Cannot restart run with different dataset
bug
Something isn't working
#349
opened Jun 27, 2023 by
pablo-unzueta
issue when using nequip-deploy 🐛 [BUG]
bug
Something isn't working
#346
opened Jun 6, 2023 by
utkarshp1161
🌟 [FEATURE] Masking out some labels (e.g. constrained atoms)
enhancement
New feature or request
#307
opened Feb 21, 2023 by
Linux-cpp-lisp
❓ [QUESTION] CIF files & other target properties
question
Further information is requested
#268
opened Nov 22, 2022 by
giotre
🐛 [BUG] Tutorial example runs infinitely
bug
Something isn't working
#260
opened Nov 1, 2022 by
schiotz
🐛 [BUG] Crash when using large dataset
bug
Something isn't working
#214
opened May 23, 2022 by
peastman
Multi-GPU support exists❓ [QUESTION]
enhancement
New feature or request
#210
opened May 11, 2022 by
JonathanSchmidt1
ProTip!
Follow long discussions with comments:>50.