learning-to-smell-starter-kit

Starter kit for getting started in the AIcrowd Learning 2 Smell Challenge.

Installation

git clone https://github.com/AIcrowd/learning-to-smell-starter-kit
cd learning-to-smell-starter-kit
pip install -r requirements.txt

Data download

Download all the files from the AIcrowd Resources page, and put them in the data/ folder. This should give you a folder structure similar to :

.
├── data
│   ├── test.csv
│   ├── train.csv
│   └── vocabulary.txt

NOTE: If you have not accepted the challenge rules (by clicking on the Participate button), you will be asked to agree to the Rules of the competition at this point.

Basic Usage

Generate Random Predictions

python random_predict.py

This should generate a submission.csv file, which you can upload by clicking on Create Submission on the challenge page.

Predictions by Graph Neural Networks

Coming Soon

Predictions by using Molecular Fingerprints