MDIL-SNU/SevenNet

Issues

• Pass the pre-loaded model when initialising the calculator, rather than loading the model inside the calculator.

  #99 opened 3 months ago by dembart
  1

• TODO list

  #86 opened 4 months ago by YutackPark
  3

• Issues related to data preprocessing of datasets

  #61 opened 5 months ago by zzutao
  6

• [feature suggest] active learning for fine-tuning

  #76 opened 5 months ago by thangckt
  5

• Running LAMMPS Simulations on CPUs Only

  #91 opened 4 months ago by ikuki-ikuki
  12

• New PyPI release

  #96 opened 4 months ago by janosh
  2

• anyway to read energy, force and stress from extxyz?

  #87 opened 4 months ago by thangckt
  6

• Prebuild dataset too large for RAM

  #88 opened 4 months ago by JonathanSchmidt1
  5

• Get nan values during train

  #90 opened 4 months ago by thangckt
  4

• ChildFailedError when continuing the fine-tune training based on MP pretrained model using 2 GPUs.

  #83 opened 4 months ago by turbosonics
  6

• Does SevenNet support to run parallel in ASE?

  #77 opened 4 months ago by thangckt
  1

• Multi-GPU training crash: Rendezvous Timeout Error

  #63 opened 5 months ago by turbosonics
  1

• Question about pressure & memory or GPU per number of atoms and others

  #54 opened 5 months ago by turbosonics
  1

• speed up inference just by torch

  #55 opened 5 months ago by heyfavour
  1

• Publish to PyPI

  #52 opened 5 months ago by janosh
  1

• LAMMPS-SevenNet build error

  #51 opened 6 months ago by turbosonics
  4

• Evaluating/testing the trained model

  #4 opened a year ago by Atefeh-Yadegarifard
  2

• Error in importing OUTCAR without stress data

  #3 opened a year ago by petitcloud
  2