-
Start from the antibiotic prediction paper and see whether we can reproduce a similar approach of building a prediction model using chemoprop, and then add features extracted from RDkit from all molec…
-
Currently, I seem that there are two data classes, `ConvMol` and `WeaveMol` for a molecule graph and these classes are designed for each specific model (like `ConvMol`
-
List of goals for the ROS 2 transition. It will not only be a port of old ROS 1 packages, but a refactoring with the learned experience:
Each package subdirectory should have a `README.md` with all…
-
Thanks for your great jobs! I noticed your paper mentioned "We use a processed subset containing 456K molecules from the ChEMBL database [24] for pretraining." Could you please release your pretrainin…
-
## 🚀 Feature
The purpose of this issue is to resume discussion on graph level features from issues #417, #714, #737, #1316, #1449. Implementing support for graph level features for dgl.DGLGraph coul…
-
I am a beginner of GNN, and I take the liberty to ask a question, please bear with me.
My question is based on this sentence from the paper 4.1: The graph partitions are generated such that the train…
-
### SynapseML version
0.10.2
### System information
- **Language version** (e.g. python 3.8, scala 2.12):
- **Spark Version** (e.g. 3.2.3): 3.3.1
- **Spark Platform** (e.g. Synapse, Databricks): …
-
The polynomial values are computed in a loop:
https://github.com/deepsphere/deepsphere-cosmo-tf2/blob/3facedf3747abe3e065c45d3368d4d0b1ddf9a2d/deepsphere/gnn_layers.py#L127
For commonly used deg…
-
the methods in xgraph can only explain model in dig.xgraph.models,i try to use it to explain my model which is built by PYG, get the error:
`KeyError: 'explain_message'`
this is my model:
…
-
Whether each bucket will perform mini-batch training?
On your paper, whether each bucket performs 4(bound) mini-batch training? Is my understanding correct?
Thanks a lot!