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### Your name
Yibo Dou
### Your affiliation
PKU
### What happened? What did you expect to happen?
I am learning GEOS-Chem through Quickstart Guide, I am executing
`./gcclassic > GC.log 2>&1 `
b…
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### Your name
Julieta Juncosa Calahorrano
### Your affiliation
UMN
### What happened? What did you expect to happen?
Hello, I am starting a spin up simulation from 20180701-20190701.
### What …
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### Your name
Yuanjian Zhang
### Your affiliation
WashU
### What happened? What did you expect to happen?
Both GC-Classics and GCHP are not able to conserve mass upon restart.
@lizzi…
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**Describe the bug**
Tautomer canonicalization ends up clearing/losing stereo in this case
**To Reproduce…
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## Enable GEOS-Chem diagnostics to be archived while GISS-GC runs.
### Background
GISS Model E has monthly diagnostics and sub-daily diagnostics (SUBDD). Both use an intermediate file representa…
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  作者您好，首先感谢您能提供工作源码。但我在测试时遇到一些问题，如直接使用您提供的训练好的joint模型pt文件采样，并使用evaluate_diffusion.py 进行评估时，生成的分子均无法通过测试，有效性为0。
  在我的测试中，采样模型参数采用您Readme.md中的参数或默认参数，如type_grad设置为100 or 0，pos_grad设…
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### Labels
[BUG][MINOR]
### Description
title. they don't process them but...they're robots
### Steps to reproduce
^
### Expected Behavior
they don't process chems but it's stil…
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**Describe the bug**
the xyz2mol implementation in C mostly works for me, but for some xyz files it fails. My goal is to get the molecule from the smiles with a conformer based on the xyz. The exampl…
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### Your name
Liliang Chen
### Your affiliation
Chinese research academy of Environmental Science
### What happened? What did you expect to happen?
I could run cmake make make install successfull…
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same icon for .sdf, .smi, .mol, .mol2 files