- DeePMD-kit v2基于TensorFlow,限制了与其他框架的集成。为解决这一问题,v3版本引入了多后端框架。 2. 软件描述: 2.1 多后端框架: - DeePMD-kit v3支持多种深度学习框架,提供统一的用户和开发者接口。 - 新框架没有破坏v2版本的Python和C/C++ API,允许无缝集成到现有的分子动力学软件中。 - 用户可以通过简单...
在DeePMD-kit v3最新的2024Q1分支版本(https://github.com/deepmodeling/deepmd-kit/tree/2024Q1)中,还包含了如下的新功能支持,主要包括: DeepSpin升级,PyTorch版本现已支持包括DPA2在内的所有descriptor,可以结合如type embedding等模型结构,获得更高精度的磁性模型,为带磁性体系的研究推波助澜,输入案例见https://...
After eight months of public tests, we are excited to present the first stable version of DeePMD-kit v3, an advanced version that enables deep potential models with TensorFlow, PyTorch, or JAX backends. Additionally, DeePMD-kit v3 introduces support for theDPA-2 model, a novel architecture opti...
Seeour latest paperfor details of all features until v2.2.3. v3 Multiple backends supported. Add PyTorch and JAX backends. The DPA-2 model. Plugin mechanisms for external models. Install and use DeePMD-kit Please read theonline documentationfor how to install and use DeePMD-kit. Code structure...
v3 Multiple backends supported. Add PyTorch and JAX backends. The DPA-2 model. Plugin mechanisms for external models. Seeour v3 paperfor details of all features until v3.0. Please read theonline documentationfor how to install and use DeePMD-kit. ...
最近开始学习deepmd,记录下安装过程。 系统:centos 7.5 安装过程共分为一下几步: 1. 安装annconda 2. 创建python(3.6)环境 https://blog.csdn.net/weixin_42807065/article/details/115006778 可能会出现的问题: https://www.cnblogs.com/jdwfff/p/10499950.html ...
"License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)", "Topic :: Scientific/Engineering :: Artificial Intelligence", "Topic :: Scientific/Engineering :: Physics", "Topic :: Scientific/Engineering :: Chemistry", ...
With DeePMD-kit v3, we have expanded support to include two additional backends alongside TensorFlow: the PyTorch backend and the framework-independent backend (dpmodel). The PyTorch backend adopts a highly modularized design to provide flexibility and extensibility. It ensures a consistent experience ...
Template Function deepmd::dotmv3 Function Documentation Function deepmd::DPGetDeviceCount Function Documentation Function deepmd::DPSetDevice Function Documentation Template Function deepmd::env_mat_a_cpu Function Documentation Template Function deepmd::env_mat_a_nvnmd_quantize_cpu ...
近日,DeePMD-kit v3的首个alpha版本(v3.0.0a0)发布,支持在 TensorFlow 或 PyTorch 等后端框架展开训练,并支持DPA-2等大原子模型(LAM)。随着新学期的到来,为了帮助更多国内外新人用户快速上手使用 DeePMD-kit 软件,我们更新了「快速开始 DeePMD-kit」教程,助力大家以 Bohrium Notebook 形式在云端动手实战。我们将在...