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I couldn't find the code to run model inference on my custom dataset to predict ic50 value in the repository....can someone help me out with this.
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Parent issue in the roadmap: https://github.com/xchem/fragalysis-backend/issues/197
Significant actions of the user shall be tracked.
Tracked shall be following actions:
1. Loaded target
2. Si…
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**MCATS Questions Focused on Molecular & Cellular Physiology**
**1. Major histocompatibility complex (MHC) refers to a large group of genes that code for proteins that play an essential role in whi…
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Hi I keep reporting errors while running tasks
ERROR:root:Sending download flush
ERROR:root:Join download
Process Process-2:
Traceback (most recent call last):
File "/public/home/b20233050453/m…
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Hi,
We decided to test if we get speedup for a big batch of molecules if we call the GPU asynchronously (using python asyncio by calling terminal command "concurrently"). We tested on 2080 SUPER, and…
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- [x] Layla: Generate target pharmacophore models
- [ ] Renan: Generate classifier based on clustering of scaffolds
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Hello, I download the source code and extract the data set PDB file, run the problem occurred, how to solve it
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Some targets were aligned to the wrong xtal chain and therefore received bad RMSDs. Something probably went wrong during chain splitting/permutation/alignment.
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This may be a tricky issue to solve.
When using a path based dock, there is a drift that nudges the ligand towards the current path node. If the ligand has formed a bond with the receptor, that bon…
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I'm very interested in your job.
I downloaded the source code, but I can not download the pre-trained unconditional VAEs model.
The file does not exist. Could you please upload it again?
Or, I wo…