Issues

• [Feature Request] Refactor the cpp interface of the saved DMFF jax model with MD engine

  enhancement
  deepmodeling/DMFF#173 · Filter by author dingye18 opened on Mar 21, 2024

• [Feature Request] Support for machine learning force field in OpenMM DMFF plugin

  enhancement
  deepmodeling/DMFF#152 · Filter by author tucy22 opened on Nov 30, 2023
  1

• [Feature Request] Install dependencies automatically and publish to PyPI

  enhancement
  deepmodeling/DMFF#128 · Filter by author njzjz opened on Oct 31, 2023
  3

• Question about gradient

  enhancement
  deepmodeling/DMFF#113 · Filter by author faranak1991 opened on Sep 13, 2023
  7

• [Feature Request] Request a new feature for development of reactive force field

  enhancement
  deepmodeling/DMFF#103 · Filter by author l98y3j26 opened on Jun 1, 2023
  3

• [Feature Request] Efficient neighborlist construction/usage plugin for nonbonded force calculation

  enhancement
  deepmodeling/DMFF#91 · Filter by author TablewareBox opened on Feb 23, 2023
  1

• [Feature Request] Support parameter optimization for dynamic properties based on trajectory

  enhancement
  deepmodeling/DMFF#88 · Filter by author ice-hanbin opened on Feb 21, 2023
  2

• [Feature Request] MD Engine Support (LAMMPS) for trained model with DMFF

  enhancement
  deepmodeling/DMFF#87 · Filter by author WangXinyan940 opened on Feb 20, 2023