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### WHY
We need to reveal how the black-box model engine operates for user to understand and trust the systems (where they do not know the basis for the current outcomes and lack insight how it wor…
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### Bug summary
I modified the 'deepmd/train/trainer.py' file, and added some codes for gradient:
print('开始获取梯度信息')
# 计算损失函数相对于输入坐标的梯度
coord_p…
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Thank you 🙇♀ for wanting to create an issue in this repository. Before you do, please ensure you are filing the issue in the right place. Issues should only be opened on if the issue **relates to cod…
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### Problem description
MCFRET is a an acronym for Multi Chromophoric Förster Resonant Energy Transfer. Its classical use case is found in donor-acceptor systems, but other applications are also poss…
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Why not. It'd be nice to have a build system that handles Unix and Windows (native, cygwin, whatever). It'd be nice if the Windows build could be made to use clang. All without having to keep Makef…
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I noticed the package [Hetero2d](https://github.com/cmdlab/Hetero2d) which has the following [Package Description](https://github.com/cmdlab/Hetero2d#package-description):
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> The 2D-substrate he…
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### Name
eGo Framework
### Screenshots
![Image](https://openego.readthedocs.io/en/dev/_images/eGo_integration.png)
### Focus Topic
Open source framework for cross-grid-level electricity grid and …
Ludee updated
6 months ago
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**Submitting author:** @qiangyicheng (Yicheng Qiang)
**Repository:** https://github.com/qiangyicheng/flory
**Branch with paper.md** (empty if default branch):
**Version:** 0.2.0
**Editor:** @srmnitc
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_As discussed in Vienna I'm adding some issues from the viewpoint of industrial process modelling:_
I was wondering how one would define a steam system in the EnergyADE. Two areas of concern:
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**Submitting author:** @Schneewittchen7001 (Leonie Plaga)
**Repository:** https://gitlab.ruhr-uni-bochum.de/ee/cd2es
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.0
**Editor:*…