atomicarchitects / equiformer

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
https://arxiv.org/abs/2206.11990
MIT License
212 stars 38 forks source link

../../logger.py导入出现问题 #9

Open KristinSun opened 1 year ago

KristinSun commented 1 year ago

Traceback (most recent call last): File "main_oc20.py", line 29, in import oc20.trainer File "/home/a113/FY/Code/equiformer-master/oc20/trainer/init.py", line 17, in from .energy_trainer_v2 import EnergyTrainerV2 File "/home/a113/FY/Code/equiformer-master/oc20/trainer/energy_trainer_v2.py", line 26, in from .base_trainer_v2 import BaseTrainerV2, interpolate_init_relaxed_pos File "/home/a113/FY/Code/equiformer-master/oc20/trainer/base_trainer_v2.py", line 55, in from .logger import FileLogger File "/home/a113/FY/Code/equiformer-master/oc20/trainer/logger.py", line 1 ../../logger.py ^ SyntaxError: invalid syntax 在导入的时候为什么会出现这个错误

yilunliao commented 1 year ago

Hi @KristinSun .

I have not encountered this issue. Can you try running on other machines/clsuters to see if that still happens?

zhoufy20 commented 2 months ago

When we git clone the package, the logger.py and engine.py occur some errors which cannot be opened locally.

yilunliao commented 2 months ago

@zhoufy20 Maybe clone again or try on other machines/clusters? It would be good if you share error message.

I think others can reproduce the numbers in the paper, so there should be no issues generally.

zhoufy20 commented 2 months ago

@yilunliao ,Thanks! It is ok now, maybe the vpn problem.

I would likle to inquire about how to utilize Equiformer_v2 with my dataset, which includes numerous DFT calculations, such as CONTCAR and OUTCAR files. This dataset contains information on atom positions, adjacency matrices, average atom energies, and forces acting on each atom. Is there any entry points for dgl type dataset?

Your response and assistance in this would be greatly appreciated.

yilunliao commented 1 month ago

Hi @zhoufy20

Can you post this question to EquiformerV2 repo instead?