From eebaaa1785ad2ad6ca4426734ea8bdcd9e118229 Mon Sep 17 00:00:00 2001 From: Zihan Yan <119929382+zhyan0603@users.noreply.github.com> Date: Sun, 12 Jan 2025 21:28:10 +0800 Subject: [PATCH] add link for NEP_Active --- tools/readme.md | 1 + 1 file changed, 1 insertion(+) diff --git a/tools/readme.md b/tools/readme.md index 1040e65eb..0a18364ef 100644 --- a/tools/readme.md +++ b/tools/readme.md @@ -50,3 +50,4 @@ | `pynep` | https://github.com/bigd4/PyNEP | `PyNEP` is a python interface of the machine learning potential NEP used in GPUMD. | | `somd` | https://github.com/initqp/somd | `SOMD` is an ab-initio molecular dynamics (AIMD) package designed for the SIESTA DFT code. The SOMD code provides some common functionalities to perform standard Born-Oppenheimer molecular dynamics (BOMD) simulations, and contains a simple wrapper to the Neuroevolution Potential (NEP) package. The SOMD code may be used to automatically build NEPs by the mean of the active-learning methodology. | | `NepTrainKit` | https://github.com/aboys-cb/NepTrainKit | `NepTrainKit` is a Python package for visualizing and manipulating training datasets for NEP. | +| `NEP_Active` | https://github.com/psn417/NEP_Active | `NEP_Active` is a python package for building the training set using active learning strategy. It follows the method of Moment Tensor Potential (MTP). |