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Hi,
Thank you very much for sharing this work. This is really great!
This is a question, not an issue: is it possible to use this method for small molecule alchemical transfromations in explicit wat…
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Thank your for providing such a large dataset covering a large proportion of chemical space. I try training EGNN (EquiformerV2) using Pubchem subset of SPICE (SPICE_PubChem_Set_1_Single_Points_Dataset…
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### Description
The Molecular Weight Calculator simplifies chemistry by computing the total atomic weights of elements in a given chemical formula, helping users swiftly determine the molecular weigh…
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Allow changes in the fuel price caused by policies (like carbon tax, fuel taxes, and fuel price deregulation) to drive efficiency improvements in industrial equipment.
One approach is to adopt an e…
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Project Name: The People’s Network use in Digital Agriculture Elevator Pitch:Large and small growers alike benefit from sharing ambient weather conditions, air quality, and other environmental data. W…
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Hi, I encounter the same problem as in https://github.com/facebookresearch/LAMA/issues/10.
And I found the reason why 2 examples are filtered is that the `obj_label` are `1970s` and `1990s`. And in `…
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TypeError: Cannot read properties of undefined (reading 'map')
===MESSAGES===
Need to update path for document "[U] Laser Aiming Module" [00xEyqTZc8…
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### Version
_slic3rPE-1.42.0-beta1+linux64-full-201903231838.AppImage
### Operating system type + version
Linux
### 3D printer brand / version + firmware version (if known)
Prusa
### Beha…
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Hello!
I would like to parametrize a system of small molecules that I constructed using PackMol. I generated my Molecule objects from SMILES according to the tutorial. I then used PackMol to genera…