From owner-chemistry@ccl.net Sat May 25 10:46:00 2024 From: "Aree Taguchi taguchi:qunasys.com" To: CCL Subject: CCL: Quantum Algorithm Grand Challenge (QAGC) 2024 Message-Id: <-55157-240525003312-6947-XBT8h2NpYnYvnOzPtFlqxA\a/server.ccl.net> X-Original-From: "Aree Taguchi" Date: Sat, 25 May 2024 00:33:04 -0400 Sent to CCL by: "Aree Taguchi" [taguchi++qunasys.com] Hello, I would like to inform you about Quantum Algorithm Grand Challenge (QAGC) 2024. Website: https://www.qagc.org/ We encourage participation from individuals interested in quantum computing and quantum chemistry. It would be appreciated if you could share this information with anyone else who might be interested. About the Quantum Algorithm Grand Challenge (QAGC) Overview: QAGC is an international online algorithm development contest targeted at students, researchers, and other participants interested in quantum computing and quantum chemistry. The event, now in its second year, aims to solve practical quantum chemistry problems using NISQ algorithms. Details: Participants will develop NISQ algorithms and submit them through our GitHub page. The submitted algorithms will be evaluated based on their efficiency and accuracy using a specified Hamiltonian (an improved version of the 1D Fermi- Hubbard model). *For more details on this model, please refer to the following paper: https://arxiv.org/abs/2402.11869 Evaluation and Rewards: Submissions will be scored based on the accuracy of the algorithms, and rankings will be determined accordingly. The top three participants will receive cash prizes, opportunities to present at international conferences, and support for publishing their results. Last year, top performers were awarded at a workshop organized by QunaSys during IEEE Quantum Week 2023. https://qce.quantum.ieee.org/2023/workshops-program/ Submission Deadline: June 30, 2024, 23:59 (JST) If you have any questions or need further information, please feel free to contact us at qagc_._qunasys.com. We look forward to participation from you. Best regards, Aree Taguchi Business Intern QunaSys Inc. qagc_._qunasys.com From owner-chemistry@ccl.net Sat May 25 15:17:00 2024 From: "Igor Tetko itetkoai||gmail.com" To: CCL Subject: CCL: Tox24 Challenge Message-Id: <-55158-240525131650-32065-0iJJwONwauzqU8L0Cs57tw.@.server.ccl.net> X-Original-From: Igor Tetko Content-Type: multipart/alternative; boundary="Apple-Mail=_F43B8C05-E865-4B79-99E4-05DB6A627A50" Date: Sat, 25 May 2024 19:15:55 +0200 Mime-Version: 1.0 (Mac OS X Mail 16.0 \(3731.700.6.1.1\)) Sent to CCL by: Igor Tetko [itetkoai|gmail.com] --Apple-Mail=_F43B8C05-E865-4B79-99E4-05DB6A627A50 Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset=utf-8 Dear Colleagues, We have recently started a Tox24 challenge (1), which is designed to = assess the progress in computational methods for predicting in vitro = activity of compounds.=20 The chemicals and compounds being tested for activity against = transthyretin (TTR) by EPA are used as training and test sets (2). All = experts in machine learning and computational chemistry are strongly = encouraged to participate. Participants will be competing for a prize of = 1000=E2=82=AC, to be awarded to the developers of the winning model. You = can find the full description, rules and timeline at = https://ochem.eu/static/challenge.do. Briefly: 1012 and 200 compounds in training and leaderboard sets are = available to the participants (leaderboard set will be released on = August 15th) to develop models. The winning model will be determined = after September 1st using a test set of 300 compounds. Predictions can be submitted on-line or by e-mail. Final model submitted = by each team before the deadline will be used to determine a winner. = Data are available in the pre-print (2) or can be downloaded from the = Challenge web site.=20 We are looking forward to seeing your models! Submit by August 31.=20 Best regards, Igor Tetko Coordinator: AIDD ITN: https://ai-dd.eu AiChemist DN: https://aichemist.eu OCHEM: https://ochem.eu=20 Helmholtz Munich Institute of Structural Biology Ingolst=C3=A4dter Landstr. 1,=20 85764 Neuherberg You can also see this announcement at LinkedIn, BlueSky and Twitter: = https://www.linkedin.com/posts/katya-ahmad-ph-d-638453169_together-with-th= e-european-neural-network-activity-7199320098296225794-eJcQ https://bsky.app/profile/aidd.bsky.social/post/3kt5eghy5ks2z https://twitter.com/ChemResTox/status/1793310995122729298 It would be great if you can re-send this information to your = colleagues/students, who could be interested in this challenge. Thank = you! References: [1] Tetko, I.V. Tox24 Chalenge, Chem. Res. Tox., = https://pubs.acs.org/doi/10.1021/acs.chemrestox.4c00192 [2] Eytcheson, S. A.; Zosel, A. D.; Olker, J. H.; Hornung, M. W.; = Degitz, S. J. Screening the ToxCast Chemical Libraries for Binding to = Transthyretin. ChemRxiv , May 8, 2024. DOI: = 10.26434/chemrxiv-2024-pwgq6 . --Apple-Mail=_F43B8C05-E865-4B79-99E4-05DB6A627A50 Content-Transfer-Encoding: quoted-printable Content-Type: text/html; charset=utf-8
Dear = Colleagues,

We have recently started a Tox24 = challenge (1), which is designed to assess the progress in computational = methods for predicting in vitro activity of = compounds. 

The chemicals and compounds = being tested for activity against transthyretin (TTR) by EPA are used as = training and test sets (2). All experts in machine learning and = computational chemistry are strongly encouraged to participate. = Participants will be competing for a prize of 1000=E2=82=AC, to be = awarded to the developers of the winning model. You can find the full = description, rules and timeline at = https://ochem.eu/static/challenge.do.

Briefly: = 1012 and 200 compounds in training and leaderboard sets are available to = the participants (leaderboard set will be released on August 15th) to = develop models. The winning model will be determined after September 1st = using a test set of 300 compounds.

Predictions = can be submitted on-line or by e-mail. Final model submitted by each = team before the deadline will be used to determine a winner. Data are = available in the pre-print (2) or can be downloaded from the Challenge = web site. 

We are looking forward to = seeing your models! Submit by August = 31. 

Best regards,
Igor = Tetko


Coordinator:
AIDD = ITN: https://ai-dd.eu
AiChemist DN: =  https://aichemist.eu
OCHEM: = https://ochem.eu 

Helmholtz = Munich
Institute of Structural Biology
Ingolst=C3=A4dt= er Landstr. 1, 
85764 = Neuherberg

You can also see this announcement = at LinkedIn, BlueSky and = Twitter:

https://www.linkedin.com/posts/katya-ahm= ad-ph-d-638453169_together-with-the-european-neural-network-activity-71993= 20098296225794-eJcQ
https://bsky.app/profile/aidd.bsky.social/po= st/3kt5eghy5ks2z
https://twitter.com/ChemResTox/status/179331099= 5122729298

It would be great if you can re-send this = information to your colleagues/students, who could be interested in this = challenge. Thank = you!


References:
[1= ] Tetko, I.V. Tox24 Chalenge, Chem. Res. = Tox., https://pubs.acs.org/doi/10.1021/acs.chemrestox.4c00192
[2] Eytcheson, S. A.; Zosel, A. D.; Olker, J. H.; Hornung, M. = W.; Degitz, S. J. Screening the ToxCast Chemical Libraries for Binding = to Transthyretin. ChemRxiv , May 8, 2024.  DOI: = 10.26434/chemrxiv-2024-pwgq6 = .

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