David L. Dotson
@dotsdl.bsky.social
physicist, entrepreneur, alchemist; opinions my own 🏳️🌈
Earlier this year we released alchemiscale v0.6.0, and followed this up with v0.6.1 and v0.6.2. We wanted to take a moment to highlight these releases, and the improvements they bring for users!
Read our full post here: alchemiscale.org/advancements...
#compchem #drugdiscovery #alchemistry
Read our full post here: alchemiscale.org/advancements...
#compchem #drugdiscovery #alchemistry
advancements in alchemiscale v0.6
In February of this year we released alchemiscale v0.
alchemiscale.org
June 3, 2025 at 8:30 PM
Earlier this year we released alchemiscale v0.6.0, and followed this up with v0.6.1 and v0.6.2. We wanted to take a moment to highlight these releases, and the improvements they bring for users!
Read our full post here: alchemiscale.org/advancements...
#compchem #drugdiscovery #alchemistry
Read our full post here: alchemiscale.org/advancements...
#compchem #drugdiscovery #alchemistry
Proud to have shared some of our recent work at the 2025 Workshop on Free Energy Methods in Boston!
Our poster detailed the engineering approach we took to enable large-scale computation of alchemical binding free energies via alchemiscale (alchemiscale.org) and Folding@Home (foldingathome.org).
Our poster detailed the engineering approach we took to enable large-scale computation of alchemical binding free energies via alchemiscale (alchemiscale.org) and Folding@Home (foldingathome.org).
May 27, 2025 at 11:27 PM
Proud to have shared some of our recent work at the 2025 Workshop on Free Energy Methods in Boston!
Our poster detailed the engineering approach we took to enable large-scale computation of alchemical binding free energies via alchemiscale (alchemiscale.org) and Folding@Home (foldingathome.org).
Our poster detailed the engineering approach we took to enable large-scale computation of alchemical binding free energies via alchemiscale (alchemiscale.org) and Folding@Home (foldingathome.org).
Reposted by David L. Dotson
If they suspend Habeas Corpus, it won't just be for "migrants" or "illegals" or "criminals." If they suspend Habeas Corpus it will be for you and me and whomever this regime decides is unfit, undesirable, and a threat or a problem. This is how it works. This is how it's always worked.
May 11, 2025 at 4:53 PM
If they suspend Habeas Corpus, it won't just be for "migrants" or "illegals" or "criminals." If they suspend Habeas Corpus it will be for you and me and whomever this regime decides is unfit, undesirable, and a threat or a problem. This is how it works. This is how it's always worked.
En route to Boston for the 2025 Workshop on Free Energy Methods in Drug Design!
Looking for ways to better scale the free energy calculations that support your active drug discovery programs? Hit me up here or find me there!
#drugdesign #drugdiscovery #compchem #alchemistry
Looking for ways to better scale the free energy calculations that support your active drug discovery programs? Hit me up here or find me there!
#drugdesign #drugdiscovery #compchem #alchemistry
May 5, 2025 at 8:36 PM
En route to Boston for the 2025 Workshop on Free Energy Methods in Drug Design!
Looking for ways to better scale the free energy calculations that support your active drug discovery programs? Hit me up here or find me there!
#drugdesign #drugdiscovery #compchem #alchemistry
Looking for ways to better scale the free energy calculations that support your active drug discovery programs? Hit me up here or find me there!
#drugdesign #drugdiscovery #compchem #alchemistry
Excited to announce that Achira (achira.ai) is supporting Datryllic in advancing alchemiscale in 2025!
Details here: alchemiscale.org/advancements...
Looking to scale free energy calculations for your applications? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
Details here: alchemiscale.org/advancements...
Looking to scale free energy calculations for your applications? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
Achira support for Datryllic's efforts in 2025
In February, we published the alchemiscale project’s 2025 roadmap, detailing our objectives for the year, our available resources, and the path we intend to take to leverage these resources in service...
alchemiscale.org
April 21, 2025 at 5:58 PM
Excited to announce that Achira (achira.ai) is supporting Datryllic in advancing alchemiscale in 2025!
Details here: alchemiscale.org/advancements...
Looking to scale free energy calculations for your applications? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
Details here: alchemiscale.org/advancements...
Looking to scale free energy calculations for your applications? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
Reposted by David L. Dotson
Everything is chaos, but I wanted to share some awesome recent science from the lab that hints at where the future of biomolecular simulation is headed:
Foundation simulation models that can be fine-tuned to experimental free energy data to produce systematically more accurate predictions.
Foundation simulation models that can be fine-tuned to experimental free energy data to produce systematically more accurate predictions.
February 19, 2025 at 7:30 PM
Everything is chaos, but I wanted to share some awesome recent science from the lab that hints at where the future of biomolecular simulation is headed:
Foundation simulation models that can be fine-tuned to experimental free energy data to produce systematically more accurate predictions.
Foundation simulation models that can be fine-tuned to experimental free energy data to produce systematically more accurate predictions.
This month the alchemiscale project celebrates its 3rd anniversary since kicking off in 2022! We've come a long way, and there is much we look forward to improving this year.
Read about where we're going in 2025: alchemiscale.org/roadmaps/alc...
#compchem #opensource #alchemistry #drugdiscovery
Read about where we're going in 2025: alchemiscale.org/roadmaps/alc...
#compchem #opensource #alchemistry #drugdiscovery
alchemiscale roadmap 2025
It’s 2025, and this month the project now known as alchemiscale celebrates its 3rd anniversary since kicking off in 2022.
alchemiscale.org
February 12, 2025 at 1:04 AM
This month the alchemiscale project celebrates its 3rd anniversary since kicking off in 2022! We've come a long way, and there is much we look forward to improving this year.
Read about where we're going in 2025: alchemiscale.org/roadmaps/alc...
#compchem #opensource #alchemistry #drugdiscovery
Read about where we're going in 2025: alchemiscale.org/roadmaps/alc...
#compchem #opensource #alchemistry #drugdiscovery
Very pleased to announce that ASAP Discovery (asapdiscovery.org) is supporting Datryllic in advancing alchemiscale in 2025!
More details here: alchemiscale.org/advancements...
Looking to advance alchemiscale further? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
More details here: alchemiscale.org/advancements...
Looking to advance alchemiscale further? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
Datryllic efforts for ASAP Discovery in 2025
In October, we offered a detailed perspective on what we considered to be the alchemiscale project’s most attractive advancement opportunities in 2025.
alchemiscale.org
January 24, 2025 at 7:06 PM
Very pleased to announce that ASAP Discovery (asapdiscovery.org) is supporting Datryllic in advancing alchemiscale in 2025!
More details here: alchemiscale.org/advancements...
Looking to advance alchemiscale further? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
More details here: alchemiscale.org/advancements...
Looking to advance alchemiscale further? Don’t hesitate to reach out!
#drugdiscovery #alchemistry #opensource #compchem
Tis the season for making space to realign the spirit with the mind and body.
To rekindle the enthusiasm that set you down the path you're on, and to consider the possibilities beyond it.
To take stock of what you have learned, and what you likely need to.
To be ready to make a positive impact.
To rekindle the enthusiasm that set you down the path you're on, and to consider the possibilities beyond it.
To take stock of what you have learned, and what you likely need to.
To be ready to make a positive impact.
December 30, 2024 at 12:00 AM
Tis the season for making space to realign the spirit with the mind and body.
To rekindle the enthusiasm that set you down the path you're on, and to consider the possibilities beyond it.
To take stock of what you have learned, and what you likely need to.
To be ready to make a positive impact.
To rekindle the enthusiasm that set you down the path you're on, and to consider the possibilities beyond it.
To take stock of what you have learned, and what you likely need to.
To be ready to make a positive impact.
Reposted by David L. Dotson
🦠 We’re excited to announce our first competition in partnership with @asapdiscovery.bsky.social and @omsf.io!
Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵
Full details: polarishub.io/competitions
Blog: polarishub.io/blog/antivir...
Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵
Full details: polarishub.io/competitions
Blog: polarishub.io/blog/antivir...
December 3, 2024 at 3:13 PM
🦠 We’re excited to announce our first competition in partnership with @asapdiscovery.bsky.social and @omsf.io!
Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵
Full details: polarishub.io/competitions
Blog: polarishub.io/blog/antivir...
Test your skills across three sub-challenges revolving around SARS-CoV-2 and MERS-CoV Mpro🧵
Full details: polarishub.io/competitions
Blog: polarishub.io/blog/antivir...
Reposted by David L. Dotson
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
openadmet.org
November 16, 2024 at 1:42 AM
The OMSF (@omsf.bsky.social) OpenADMET project is hiring a Science Lead for ML models of molecular property prediction, as well as a Senior Scientist for data curation and pipeline integration! Help build the future of open source ADMET prediction and ML model enablement!
openadmet.org/jobs/
openadmet.org/jobs/
Reposted by David L. Dotson
We are now on Bluesky! OMSF supports the ever-growing ecosystem of open source molecular software. We love all things #opensource, #science, and #software - if you do too, follow us!
September 28, 2023 at 7:27 PM
We are now on Bluesky! OMSF supports the ever-growing ecosystem of open source molecular software. We love all things #opensource, #science, and #software - if you do too, follow us!
@katyhuff.bsky.social howdy stranger! Great to see you here!
November 14, 2024 at 5:44 AM
@katyhuff.bsky.social howdy stranger! Great to see you here!
Do you use alchemiscale in production? Or would you like to?
We recently shared a perspective on the progress of the project, where we're currently focused, and the opportunities we see for advancement in 2025:
alchemiscale.org/opportunitie...
Let us know what you think! #drugdiscovery #oss
We recently shared a perspective on the progress of the project, where we're currently focused, and the opportunities we see for advancement in 2025:
alchemiscale.org/opportunitie...
Let us know what you think! #drugdiscovery #oss
October 30, 2024 at 1:47 AM
Do you use alchemiscale in production? Or would you like to?
We recently shared a perspective on the progress of the project, where we're currently focused, and the opportunities we see for advancement in 2025:
alchemiscale.org/opportunitie...
Let us know what you think! #drugdiscovery #oss
We recently shared a perspective on the progress of the project, where we're currently focused, and the opportunities we see for advancement in 2025:
alchemiscale.org/opportunitie...
Let us know what you think! #drugdiscovery #oss
Gave an invited talk a few weeks back at Memorial Sloan Kettering Cancer Center on alchemiscale (github.com/openforcefie...), and how we're working to scale out alchemical free energy calculations to support open data antiviral discovery for ASAP Discovery (asapdiscovery.org) via Folding@Home.
February 14, 2024 at 2:16 AM
Gave an invited talk a few weeks back at Memorial Sloan Kettering Cancer Center on alchemiscale (github.com/openforcefie...), and how we're working to scale out alchemical free energy calculations to support open data antiviral discovery for ASAP Discovery (asapdiscovery.org) via Folding@Home.