Outreachy Documentation Project: <Sayantani Saha/sayantani11> about ersilia HOT 10 CLOSED

Ersilia is an open source model that deals with drug discovery. The most interesting part of the project is that it deals with neglected diseases and help in discovery of the drugs related to that and also adverse effects. A major part of the project deals with documentation, as I have had contributed documentation in lot of projects previously and have experience in writing whitepaper as well, this project interests me keeping all this in mind. I hope I'll be able to add value to the project.

from ersilia.

Hi @sayantani11

Since you have done already some contributions not listed here, can I ask you to check @ifeoluwafavour issue and see how she has linked the previous work and do the same? To have everything in one place!

Thanks

from ersilia.

Contributions:

• The project was missing a contribution guildelines as of which made an issue to track that:
  #21

• Starting with open source can always be over whelming as of which made an issue and PR to add a readme that will be helpful for the new contributors:
  #70
  #44

• Ersilia deals with documentation, it will be a great feature if we could add a writing style guide then we will be able to maintain consistency, made an issue on that:
  #88

from ersilia.

• Added a writing style guideline that will be there for contributors to be followed while making documentation changes to Ersilia.
  #152

• Ersilia deals with a lot of documentation, keeping that in mind maintaining consistency across all the files is very important. And it's manually impossible to check it for every PR. So adding workflows or test will be a great addition that will reduce work for the maintainers and improve efficiency
  #177
  Added a PR for the above issue
  #210

• To make things easier for everyone, it was decided that the new contributors file will be merged with the contributions guideline file, so made a PR for that.
  #199

from ersilia.

TECHNICAL CARD

Identification Model ID: eos6tg8 Name: Natural product fingerprint Description: A structural fingerprint based on natural products

General info

• Built using Pytorch
• the ADAM algorithm in combination with the One Cycle Learning Rate policy is used for Training

Input: Compound Output: Vector Mode: Pretrained Status: Ready

Resources License: MIT Github: https://github.com/ersilia-os/eos6tg8 Source: https://github.com/kochgroup/neural_npfp Publication: https://www.sciencedirect.com/science/article/pii/S2001037021003226?via%3Dihub#f0010

Hi @sayantani11

this looks good, I would only perhaps work a bit on the general info section, as most users won't be experts so that it is built with PyTorch or another one its not so relevant to them.
Otherwise great job!

from ersilia.

@GemmaTuron Yes sure!!!

from ersilia.

• Made an feature request that can help contributors raise WIP PRs
  #246
• 1 page blog on Strategic plan 2021-2023
  Strategic plan summary
• Slide/ image on EOSI's mission and vision
  Mission & Vision

from ersilia.

TECHNICAL CARD

Identification
Model ID: eos6tg8
Name: Natural product fingerprint
Description:
A structural fingerprint based on natural products

General info

• Built using Pytorch
• the ADAM algorithm in combination with the One Cycle Learning Rate policy is used for Training

Input: Compound
Output: Vector
Mode: Pretrained
Status: Ready

Resources
License: MIT
Github:
https://github.com/ersilia-os/eos6tg8
Source:
https://github.com/kochgroup/neural_npfp
Publication: https://www.sciencedirect.com/science/article/pii/S2001037021003226?via%3Dihub#f0010

from ersilia.

@GemmaTuron Can you review the work? And @miquelduranfrigola for #210 can you please rename the branch to main?

from ersilia.

The Outreachy contribution period has come to an end, so I will close this issue. If you want to continue contributing to Ersilia, please follow the guidelines in the CONTRIBUTING file

from ersilia.