Comments (4)
dkoes
commented on August 11, 2024
We haven't included this feature in a release yet - it isn't quite clear what the right use case and API for this is. Can you explain what you are doing and how you want to use this?
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yangxiufengsia
commented on August 11, 2024
@dkoes Prof.Koes, I plan to use moldataset for pytorch distributed data parallel, @drewnutt replied me that I can use it by building from source. Actually, I don't know how to recompile it from source, are there any documents for tutorial? Thanks a lot.
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drewnutt
commented on August 11, 2024
The main README.md has a step by step instruction on how to build from source.
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yangxiufengsia
commented on August 11, 2024
thanks for quick reply. OK, I will first try that.
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Related Issues (20)
- libmolgrid issue HOT 4
- libmolgrid issues about stratifying receptors HOT 1
- Attempting compilation for unknown architectures HOT 1
- The ExampleProvider populate part is not working properly. HOT 7
- Is there a relationship between dataset structure and ExampleProvider HOT 5
- data_root error while defining ExampleProvider HOT 3
- libmolgrid install in python2 HOT 1
- Taking care of each region when creating a gninatype HOT 1
- .
- libmolgrid install error HOT 1
- example code in libmolgrid github HOT 4
- Issue when install libmolgrid from source HOT 9
- SystemError importing molgrid HOT 3
- General Question about AtomTyping HOT 2
- Simple example of multi-atom molecule to density to molecule HOT 4
- How can I visualize my voxel grid HOT 1
- Saving in-memory cache to disk HOT 8
- Specifying grid centers for all Examples in a batch HOT 2
- Conda forge package HOT 2
- Libmolgrid does not provide consistent batching HOT 2
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