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**What is your feature request?**
Develop a streamlit app for ersilia model for better user experience
**Is your feature request related to a problem?**
No, it could be just an enhancement
**D…
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Discussion on how to construct meta titles and descriptions:
https://docs.google.com/document/d/1R8ocUllm8EV3SPd5XBkY1rIC8sZgYVV1A93dsA7QujQ/edit#heading=h.kh7oxyc39a8c
DoD:
1. Add tissue descriptio…
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Applicant: @Amna-28
Welcome to the Ersilia Open Source Initiative. This issue will serve to track all your contributions for the project “Improve the Ersilia Model Hub, a FOSS platform offering pr…
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Hi Thomas. I've been comparing different toolkits in a SMILES reading "[benchmark](https://github.com/nextmovesoftware/smilesreading)". One of the tests involves a series of SMILES strings that tests …
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Hi @aoterodelaroza,
I've written an automated workflow to print cube files with Q-Chem and then analyze them with Critic2, and I've run this workflow on over 25,000 optimized structures that are re…
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I am trying to set up a simulation of a small solvated peptide system of around 5000 atoms. I want to use the combination of:
(1) full nonbonded interactions using NoCutoff
(2) pressure control usin…
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**Submitting author:** @VHchavez (Victor Hugo Gonzalez Chavez)
**Repository:** https://github.com/wasserman-group/pyCADMium
**Branch with paper.md** (empty if default branch): main
**Version:** v0.9.1…
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# Abstract
Text representation - SMILE - can contain simple molecular structure information together with its atomic composition. Let's try to find the chemical properties of molecules by learning …
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Hi:
I had **4k pictures need to translate the molecular depictions into their SMILES representation**.
I used the code with `smiles_list = {}
for i in picture_list:
res = img2mol(filepath=pi…