vladimirkovacevic

Pretrained Molecular Representations - Training GIN prior passing it to InfoGraph

6

In the [Pretrained Molecular Representations](https://torchdrug.ai/docs/tutorials/pretrain.html) tutorial GIN model was passed to InfoGraph: ```model = models.InfoGraph(gin_model, separate_model=False)``` Should GIN be trained first, then passed to InfoGraph?

It is really hard to find which tool in the workflow failed. Can you make this available in bunny output log?

Workflow outputs

2

When running local Bunny executor on workflow (let's say workflow has many tools and outputs) how can I collect all output files?

mhcnuggets scores on TESLA samples

4

I was very curious to test the performance of mhcnuggets 2.3 on the latest dataset with TESLA validated neoantigen candidates published in Cell ([Key Parameters of Tumor Epitope Immunogenicity Revealed...

I'm trying to process a sample with 90 000 observations and it gets killed (deficit of memory) during the execution of _l_search_ function. The machine I'm using has 36 CPUs...

Added Dockerfile that installs all necessary dependencies so the users could easily run the tool.