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amkrajewski / MPDD-X

[playing around for now] One stop solution for getting material properties with ML models while contributing to a community database.
MIT License
4 stars 0 forks source link

[IN] New Version Testing Issue - different failure modes #49

Open amkrajewski opened 3 months ago

github-actions[bot] commented 3 months ago

Hello @amkrajewski! Please comment below on this issue while attaching a ZIP file with atomic structures (POSCAR/CIFs) to get started! You can put keywords describing it in the body of the comment.

As soon as you do it, your atomic structures will be processed through several tools, described below, and return a neat Markdown report.

amkrajewski commented 3 months ago

Catalysts-POSCARs-brokenPOSCAR.zip

github-actions[bot] commented 3 months ago

👍 [1/3] I found the ZIP file linked in your comment. I will now attempt to download it and validate contents!

github-actions[bot] commented 3 months ago

👍 [2/3] I received your files and extracted them! Now, I will set up the calculation environment and run: pySIPFENN, CHGNet, and ALIGNN. You can now have A coffee and wait for results. Obtaining results should take at least a couple of minutes.

amkrajewski commented 3 months ago

Catalysts-POSCARs-brokenPOSCAR.zip

github-actions[bot] commented 3 months ago

👍 [1/3] I found the ZIP file linked in your comment. I will now attempt to download it and validate contents!

github-actions[bot] commented 3 months ago

👍 [2/3] I received your files and extracted them! Now, I will set up the calculation environment and run: pySIPFENN, CHGNet, and ALIGNN. You can now have A coffee and wait for results. Obtaining results should take at least a couple of minutes.

amkrajewski commented 3 months ago

Catalysts-POSCARs-brokenPOSCAR.zip

github-actions[bot] commented 3 months ago

👍 [1/3] I found the ZIP file linked in your comment. I will now attempt to download it and validate contents!

github-actions[bot] commented 3 months ago

👍 [2/3] I received your files and extracted them! Now, I will set up the calculation environment and run: pySIPFENN, CHGNet, and ALIGNN. You can now have A coffee and wait for results. Obtaining results should take at least a couple of minutes.

amkrajewski commented 3 months ago

Catalysts-POSCARs-brokenPOSCAR.zip

github-actions[bot] commented 3 months ago

👍 [1/3] I found the ZIP file linked in your comment. I will now attempt to download it and validate contents!

github-actions[bot] commented 3 months ago

👍 [2/3] I received your files and extracted them! Now, I will set up the calculation environment and run: pySIPFENN, CHGNet, and ALIGNN. You can now have A coffee and wait for results. Obtaining results should take at least a couple of minutes.

amkrajewski commented 3 months ago

Catalysts-POSCARs-brokenPOSCAR.zip

github-actions[bot] commented 3 months ago

👍 [1/3] I found the ZIP file linked in your comment. I will now attempt to download it and validate contents!

github-actions[bot] commented 3 months ago

👍 [2/3] I received your files and extracted them! Now, I will set up the calculation environment and run: pySIPFENN, CHGNet, and ALIGNN. You can now have A coffee and wait for results. Obtaining results should take at least a couple of minutes.

github-actions[bot] commented 3 months ago

😢 I tried to read provided structure files and perform symmetry analysis, but something went wrong... You can see detailed logs for this run here: https://github.com/amkrajewski/MPDD-X/actions/runs/10692911824