jiaor17 DiffCSP issues - Githubissues

jiaor17 / DiffCSP

[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

MIT License

57 stars 18 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

requirements.txt or pip list needed

#18 BugBuildingMaster opened 2 weeks ago
0
Adaptation of CDVAE

#17 shrimonmuke0202 opened 3 weeks ago
1
some trouble in training

#16 HSP23SCM26J opened 1 month ago
2
Predictor-corrector sampling reversed (?)

#15 fedeotto opened 1 month ago
2
hydra.errors.InstantiationException: Error locating target 'diffcsp.pl_data.datamodule.CrystDataModule', set env var HYDRA_FULL_ERROR=1 to see chained exception. full_key: data.datamodule

#14 yuuhaixia opened 1 month ago
0
how to visualize the generated results?

#13 yuuhaixia opened 1 month ago
0
why do we use only a single test batch and multiple "T_max" ranges in `optimization.py` (?)

#12 fedeotto opened 2 months ago
1
got some trouble with training a model

#11 0546trigger opened 3 months ago
2
more dependencies are needed

#10 GuJiaWen777 opened 3 months ago
0
Environmental configuration issues

#9 gaole1111 opened 4 months ago
7
Is There any way to keep the composition of a crystal same , and just predict the structure ?

#8 nitesh-acog closed 4 months ago
1
Query about algorithms of sample function

#7 hspark1212 closed 5 months ago
4
Question about the paper.

#6 hspark1212 closed 5 months ago
0
How can i train a model for a property optimization task?

#5 QAQLRL opened 5 months ago
1
Double-check Hydra Version

#4 chao1224 closed 6 months ago
1
Environment variable 'HYDRA_JOBS' not found

#3 xqh19970407 opened 7 months ago
16
how to train the model

#2 Xqd9912 opened 7 months ago
2
Evaluation does not work

#1 RomanovIgnat opened 7 months ago
6