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Just starting a place-holder to collect relevant papers.
This is one in Digital Discovery
**Database for liquid phase diffusion coefficients at infinite dilution at 298 K and matrix completion m…
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In the `README`, the `MOFStructures` link just points back to the same `workflow-parsers` repo. As a MOF researcher using workflow tools, I am also very intrigued about what this may be...
Disclaim…
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Hi authors,
For the pre-trained model, three pre-training tasks have three losses. so does the final optimal pre-trained model achievee better performance on all three tasks? Does this mean that the …
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#180 and #202 introduced an error handler to catch calculations with `ALGO = All` and `ISMEAR = -5` based on a warning in the OUTCAR file.
Currently, this error handler means it is a pain to run hi…
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Thank you for providing the code!! I also had a look at POREMAKE but am not fully sure how to run the model on, e.g., a MOF from CoRE. The paper's supplementary provides the description of how you dec…
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**Details of the scenario you tried and the problem that is occurring**
**EXOAddressList** / **EXOManagementRoleAssignment** are not working as supposed in our case the EXOAdressList throw an err…
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Steps to reproduce
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1. Prepare two machines (not domain joined) with supported versions of Windows and PowerShell 5.1
* One will be the 'DC' machine. the other will be the …
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I know everything was just migrated but I don't see a WindowsServer.ps1 file. After I install and import the PowerStig module, I tried to compile one of the example mofs and keep getting an error that…
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### 路由地址
```routes
/acs/journal/:id
```
### 完整路由地址
```fullroutes
acs/journal/accacs
acs/journal/jacsat
```
### 相关文档
https://docs.rsshub.app/zh/routes/journal#american-chemistry…
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https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/62e04636cf661270d7b615c1/original/arc-mof-a-diverse-database-of-metal-organic-frameworks-with-dft-derived-partial-atomic-charg…