CederGroupHub chgnet · Discussions · GitHub

Sort by: Latest activity

Categories

Discussions

You must be logged in to vote

understanding composition model

naveenmohandas started Jul 10, 2024 in General · Closed

3
You must be logged in to vote

Question about parsing

mugeunson asked Jul 3, 2024 in Q&A · Answered

6
You must be logged in to vote

restart chgnet training (finetune)

chtchelkatchev started Jun 28, 2024 in General

2
You must be logged in to vote

Charge prediction from Magnetic moments

rfhari asked Jun 27, 2024 in Q&A · Unanswered

0
You must be logged in to vote

Which version of ASE needed?

thienbinh92 asked May 22, 2024 in Q&A · Unanswered

3
You must be logged in to vote

How to Load and Use Trained Model from .tar Files for Calculations in CHGNet?

ShuaishuaiYuan asked May 30, 2024 in Q&A · Answered

1
You must be logged in to vote

Question on make_graphs.py

MaxWhit3 asked May 7, 2024 in Q&A · Unanswered

0
You must be logged in to vote

CHGNet training crash while importing json data that is converted from VASP AIMD.

turbosonics asked Apr 16, 2024 in Q&A · Closed · Unanswered

4
You must be logged in to vote

No module named ase.filters when using StructOptimizer

ColdSnaap asked Apr 22, 2024 in Q&A · Closed · Answered

2
You must be logged in to vote

Quick simple questions about CHGNet training

turbosonics asked Apr 10, 2024 in Q&A · Unanswered

0
You must be logged in to vote

About the setting of "message.shape[0]"

Asecretboy asked Mar 22, 2024 in Q&A · Answered

2
You must be logged in to vote

Training and inference processes: GPU configuration, training time, number of epochs, etc.

Claudia-Hello asked Mar 22, 2024 in Q&A · Closed · Answered

1
You must be logged in to vote

Out-of-memory when finetuning large datasets with graphs

YouCanNotKnow announced Mar 25, 2024 in Announcements

1
You must be logged in to vote

About the "messages" dimension

Asecretboy asked Mar 22, 2024 in Q&A · Closed · Unanswered

0
You must be logged in to vote

How long does it take to train a CHGNet model?

Asecretboy asked Mar 16, 2024 in Q&A · Closed · Unanswered

1
You must be logged in to vote

How to understand the "bond graph"?

Asecretboy asked Mar 9, 2024 in Q&A · Answered

1
You must be logged in to vote

Ill-behaved equation of state calculation for FCC Al
outdated Issues caused by outdated versions/dependencies
eric-yu-zhu asked Mar 6, 2024 in Q&A · Closed · Answered

2
You must be logged in to vote

is CUDA available in ROCm platform?

opticaltak43 asked Mar 5, 2024 in Q&A · Unanswered

1
You must be logged in to vote

error 'No module named 'ase.filters'' when i try to relax the structure
duplicate This issue or pull request already exists ase Atomic simulation environment outdated Issues caused by outdated versions/dependencies
kaijiz asked Mar 4, 2024 in Q&A · Closed · Answered

1
You must be logged in to vote

choice of pair_style in LAMMPS

rvillarparajo announced Feb 15, 2024 in Announcements

3
You must be logged in to vote

out-of-memory issue

eric-yu-zhu asked Feb 1, 2024 in Q&A · Answered

2
You must be logged in to vote

[Feature Request]: How to get the relaxed structure

Yong-Q announced Oct 24, 2023 in Announcements · Closed

4
You must be logged in to vote

Pretraining hyperparameters for CHGNet

shuix007 announced Feb 21, 2024 in Announcements · Closed

2
You must be logged in to vote

StructOptimizer issue
ase Atomic simulation environment outdated Issues caused by outdated versions/dependencies
dohyeongkwon asked Feb 5, 2024 in Q&A · Closed · Answered

2
You must be logged in to vote

Unable to reproduce AFM magnetic structure
magmom Magnetism related
chtchelkatchev started Jan 27, 2024 in General · Closed

2