✍️ Contribution period: Anshika Vashistha

[anshikavashistha]

Week 1 - Get to know the community

• [X] Join the communication channels
• [X] Open a GitHub issue (this one!)
• [x] Install the Ersilia Model Hub and test the simplest model
• [x] Install Docker if needed, and test another model
• [x] Write a motivation statement to work at Ersilia
• [x] Submit your first contribution to the Outreachy site

Week 2 - Get Familiar with Machine Learning for Chemistry

• [x] Select a model from the list suggested in GitBook
• [x] Download and serve the model via the Ersilia Model Hub to ensure it works
• [x] Open a repository on your GitHub user with all the necessary files
• [ ] Select and clean a dataset of 1000 molecules (example notebook 1)
• [ ] Run predictions for the molecules on the selected model and evaluate the results

Week 3 - Validate a Model in the Wild

• [ ] Find a suitable dataset with sufficient experimental results
• [ ] Clean and standardize the dataset
• [ ] Run predictions and calculate metrics.

Week 4 - Prepare your final application

• [ ] Submit the final application in the Outreachy website

[anshikavashistha]

Motivation for joining Outreachy and interest to work with Ersilia Open Source Initiative

Greetings to everyone! I am Anshika Vashistha, and I'm an undergrad studying Information Technology at Galgotias College of Engineering and Technology in India.

I'm really interested in data science, large language models (LLMs), and Docker. I got a taste of these during an internship where I worked with LLMs for text summarization (you can see a bit about it here:)

A friend from Codivas introduced me to Outreachy, and I thought it would be an amazing way to learn more about open-source projects. What excites me most is that Outreachy helps beginners like me get started in open-source and celebrates diversity of all kinds.

Ersilia Open Source Initiative seems like the perfect fit for me. Their focus on using technology for positive social change totally aligns with my own values and goals. Working with Ersilia would be a chance to improve my skills while working on projects that make a real difference in people's lives.

Basically, I'm really passionate about using tech for good, and that's why I'm so interested in Outreachy and Ersilia. I can't wait to join the team and make a positive impact as an Outreachy intern!

[anshikavashistha]

@DhanshreeA Please review my tasks for first week

[anshikavashistha]

I have selected eos4tcc from the gitbook mentioned. I find this interesting as it is pretrained on a bayesian graph neural network.I have some sort of experience with bayesian graph neural network and would love to contribute and learn about this model

[anshikavashistha]

I have created a repository for validation of ersilia model - https://github.com/anshikavashistha/eos4tcc-validation

[anshikavashistha]

I have also done some sort of research on the model on which I am working.Here is the link to https://glitter-germanium-512.notion.site/Ersilia-31a63e1433d54b0d864c10ecd93a47b3

[DhanshreeA]

I have also done some sort of research on the model on which I am working.Here is the link to https://glitter-germanium-512.notion.site/Ersilia-31a63e1433d54b0d864c10ecd93a47b3

Hi @anshikavashistha I recommend using comments on this issue or your repository's README to document all your research efforts.

[anshikavashistha]

Sure @DhanshreeA I would make sure to document all research work in repository and comments from next time onwards Thank you for your time

[GemmaTuron]

Hi @anshikavashistha

Let us know once this task has been updated so we can provide feedback

[anshikavashistha]

Sure @GemmaTuron

[DhanshreeA]

Hi @anshikavashistha I see that there are no updates within the repository you have provided since the last check in. I am unsure if you want to continue at this point because this is the last week of the contribution period. I am closing this issue, feel free to open it if you have any updates. You can still submit your final application with us if you so wish.