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8 changes: 8 additions & 0 deletions .idea/.gitignore

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6 changes: 6 additions & 0 deletions .idea/misc.xml

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9 changes: 9 additions & 0 deletions .idea/openadmet.github.io.iml

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73 changes: 73 additions & 0 deletions CONTRIBUTING.md
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# Contributing to OMSF Website

Thank you for your interest in contributing to the OMSF website. This guide explains the process for making changes and additions to our website content.

## For Content Contributors

If you are a member of the content contributors team, follow these steps:

1. Create a new branch for your changes
2. Make your edits
3. Submit a pull request
4. Wait for approval

### Detailed Process

1. Create a branch from `main` for your changes
2. Make your edits using Markdown
3. Create a pull request describing your changes
4. Tag @zacharbake in the PR for review
5. Address any feedback or requested changes
6. Once approved, changes will be merged

### Review Process

- All changes require one approval before merging
- Reviews will be completed within 24 hours
- Reviewers may suggest changes or request clarification
- Technical concerns will be reviewed by @ethanholz, if needed

## For External Contributors

If you're not a member of the content contributors team but would like to suggest changes:

1. Fork the repository
2. Create a branch in your fork
3. Make your changes
4. Submit a pull request from your fork and tag @zacharbake
5. Wait for review and approval

## Content Guidelines

When contributing content:

- Use clear, concise language
- Follow existing formatting patterns
- Include helpful commit messages
- Test any links or references
- Verify content accuracy
- Remove any sensitive information

## Getting Help

- For content questions: Tag @zacharbake
- For technical issues: Tag @ethanholz
- For anything else, open an issue

## Pull Request Template

When creating a pull request, please include:

- Brief description of changes
- Reason for changes
- Areas affected
- Any special considerations

## Code of Conduct

- Be respectful of other contributors
- Follow the review process
- Maintain website quality standards
- Ask questions when unsure

Thank you for helping improve the OMSF website!
23 changes: 23 additions & 0 deletions LICENSE
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MIT License

Copyright (c) 2021 Open Molecular Software Foundation

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.

This website was based on hugo-kiera template by @avianto: https://github.com/avianto/hugo-kiera.
7 changes: 0 additions & 7 deletions archetypes/blog.md

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title: "{{ replace .Name "-" " " | title }}"
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5 changes: 5 additions & 0 deletions config.toml
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baseURL = "https://omsf.io/"
languageCode = "en-us"
title = "OMSF"
theme = "hugo-kiera-master"
publishDir = "docs"
24 changes: 6 additions & 18 deletions content/_index.md
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+++
title = "OpenADMET Consortium"
description = "Next generation ADMET modelling for therapeutic development"
date = 2024-01-14T07:07:07+01:00
+++


Small molecule therapies represent a significant portion of FDA-approved drugs, yet their development is often hindered by the challenge of balancing on-target activity with desirable pharmacokinetic (PK) properties.

Pharmacokinetic properties, which encompass absorption, distribution, metabolism, and excretion (ADME), determine a drug's fate within the body and are crucial for its efficacy and safety. Currently, the optimization of these properties is often addressed late in the drug discovery process, leading to costly late-stage failures.

The OpenADMET project seeks to overcome this limitation by proactively characterizing the chemical space accessible to ADMET-associated proteins ("anti-targets"). By applying recent advances in experimental and computational techniques, a comprehensive open library of experimental and structural datasets will be generated.


The precompetitive resources developed by OpenADMET will provide valuable insights into the binding properties of "anti-targets" and empower researchers to develop predictive AI models for pharmacokinetic optimization. This shift towards a more proactive and data-driven approach promises to significantly expedite drug discovery by streamlining lead optimization, mitigating late-stage attrition, and ultimately accelerating the delivery of new therapies to patients.

OpenADMET is funded through an ARPA-H grant: "AVOID-OME: Structurally enabling the “avoid-ome” to accelerate drug discovery". Read more on the AVOID-OME concept [here](http://cdn.fraserlab.com/publications/2024_fraser.pdf) and why we think turning the tools of modern drug discovery on the AVOID-OME can create meaningfull progress in drug discovery.

---
title: "OpenADMET"
class: "homepage"
---

# Next generation ADMET modeling
### Democratizing AI models and data for therapeutic development
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22 changes: 22 additions & 0 deletions content/about/contact.md
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---
title: "Contact us"
menu: about
name: "contact"
class: "contact"
weight: 30
---

![Contact](/images/icon-contact.svg)

**Reach us**
at openadmet@omsf.io


**Follow us**
on [Linkedin](https://www.linkedin.com/company/openadmet), [Bluesky](https://bsky.app/profile/openadmet.bsky.social), and [YouTube](https://www.youtube.com/@OpenAdmet) to stay connected to our ecosystem.


**Our mailing address**
Open Molecular Software Foundation
417 Mace Blvd., Suite J110
Davis, CA 95618
16 changes: 16 additions & 0 deletions content/about/mission.md
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---
title: "OpenADMET Consortium: Next generation ADMET modeling for therapeutic development"
menu: "about"
name: "About"
layout: about
weight: 10
---

![OMSF-missions](/images/grant-avoidome.png)

## Our mission

OpenADMET is an organization with the mission to build open predictive models of safety and toxicity for small molecules, to solve the common problem inherent across the field, improving humanity's ability to more reliably, cheaply, and effectively treat disease.

### What is OpenADMET?
Read our [blog](/community/blogs/whatisopenadmet/) to learn more about our project.
8 changes: 8 additions & 0 deletions content/about/people.md
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---
title: "People"
menu: about
name: "People"
class: "people"
layout: people
weight: 20
---
24 changes: 24 additions & 0 deletions content/about/projects.md
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---
title: Funded Projects
menu: "Funded Projects"
name: "Funded Projects"
class: "funded projects"
intro: "Learn more about our funded projects."
part: 20
---

### AVOID-OME
* Building functional and structural datasets to better predict how metabolic anti-targets interact with and transform small molecules
* [ARPA-H Grant Number: 1AY1AX000035-01](https://arpa-h.gov/)

### Computational Prediction
* Improving compound property prediction and structurally enabling key toxicity and distribution targets in collaboration with Schrodinger
* [Gates Foundation](https://www.gatesfoundation.org/)

### OpenAMR
* Improving property prediction for antimicrobials
* [Gates Foundation](https://www.gatesfoundation.org/)

### Scaling Metabolism
* Scaling functional assays on CYP metabolism and driving blind challenges
* [Astera](https://astera.org/)
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34 changes: 34 additions & 0 deletions content/community/blogs/ASAPxPolarisxADMET_BlindChallenge.md
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---
title: ASAP x Polaris x OpenADMET Blind Challenge
menu: "ASAP x Polaris x OpenADMET Blind Challenge"
name: "ASAP x Polaris x OpenADMET Blind Challenge"
class: "ASAP x Polaris x OpenADMET Blind Challenge"
intro: "Read this blog on our recent ASAP x Polaris x OpenADMET Blind Challenge."
part: 20
---

#### Benchmark your models on real world drug discovery data
##### Published: 14 Jan, 2024; 2 minute read

## Advancing Open Science with ASAP Discovery, OpenADMET and Polaris
OpenADMET is proud to collaborate with the ASAP Discovery Consortium and Polaris benchmarking platform to launch an exciting computational blind challenge in small molecule drug discovery. This challenge represents a unique opportunity for researchers to tackle real-world drug discovery problems and demonstrate cutting-edge approaches in molecular modeling and prediction. This challenge aligns perfectly with OMSF’s and OpenADMET’s missions, leveraging the expertise and data from the ASAP Discovery Consortium to foster community-driven innovation in open science and evaluate models on ADMET endpoints.

## The Challenge
Participants will work on real-world data from ASAP Discovery’s antiviral programs targeting SARS-CoV-2 and MERS-CoV main proteases (Mpro).

The challenge includes three sub-tasks:

Potency Prediction: Forecast drug potency for a blind compound set.

ADMET Properties: Predict critical absorption, distribution, metabolism, excretion, and toxicity endpoints.

Ligand Posing: Generate accurate ligand poses for MERS-CoV Mpro and SARS-CoV-2 Mpro based on SARS-CoV-2 Mpro training data.

Each task uses experimental data from world-class institutions like the Weizmann Institute, the University of Oxford, and industry standard contract research organisations.

The [Polaris blog post](https://polarishub.io/blog/antiviral-competition) announcing the challenge is a great place to get started.

## How to Participate
The competition runs January 13 to March 10, 2025. Champions will present at the NIH AViDD ASAP [Open Science Forum](https://asapdiscovery.org/forum/), and everyone is invited to help co-author the final publication. Join individually or form teams—collaboration is encouraged! Learn more and dive into the challenge details [here](https://polarishub.io/competitions).

Open science thrives on community effort. We can’t wait to see how your creativity and expertise will shape the future of antiviral drug discovery!
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