From 48f46797060fb4a86f19b33ada843df50ecdd989 Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Fri, 27 Feb 2026 15:06:16 +0000 Subject: [PATCH 1/4] Initial plan From b9da0918365171f6c4bb16c941fe245c85ae01b6 Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Fri, 27 Feb 2026 15:18:53 +0000 Subject: [PATCH 2/4] Update 2025_challenge.md: published in J Chem Inf Model, PMID 41749419 Co-authored-by: fraserlab <6558734+fraserlab@users.noreply.github.com> --- _publications/2025_challenge.md | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/_publications/2025_challenge.md b/_publications/2025_challenge.md index 3a4f5a29a..34d206f5d 100644 --- a/_publications/2025_challenge.md +++ b/_publications/2025_challenge.md @@ -1,9 +1,11 @@ --- title: "A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data" -authors: "MacDermott-Opeskin H, Scheen J, Wognum C, Horton JT, West D, Payne AM, Castellanos MA, Colby S, Griffen E, Cousins D, Stacey J, Reid L, Aschenbrenner JC, Fearon D, Balcomb B, Marples P, Tomlinson CWE, Lithgo R, Winokan M, Barr H, Lahav N, Lavi M, Duberstein S, Cohen G, Fate G, Lefker B, Robinson R, Szommer T, Lynch N, Tollefson M, Xu C, Hsu J, St-Laurent J, Etsmoberg H, Zhu L, Quirke A, Haleem MIA, Alibay I, Baid G, Birnbaum B, Bishop K, Bohorquez H, Bose A, Brown CJ, Burns J, Cai L, Cedeno R, Chupakhin V, Clark F, Cole D, Corbi-Verge C, Danial M, Davi A, Dehaen W, Doering NP, Dougha A, Eakin B, Ehrlich A, Elijosius R, Fülöp J, Gitter A, Gu Y, Head-Gordon T, Jiang E, Kaminow B, Khosravi S, Khoualdi AF, Lenselink EB, Liu Z, Liu Y, Liu S, Ma Y, Maher P, Mayer I, Mey A, Montanari F, Niu T, Ogino R, Palaniappan A, Pan X, Patnaik A, Pham LH, Pinto L, Purnomo J, Rich A, Schaaf L, Schran C, Srivastava SP, Sun K, Sun Z, Talagayev V, Balakrishnan BTSB, Tkatchenko A, Treyde W, Tripp A, Vithayapalert N, Wang Y, Wasi AT, Wedig S, Xu B, Zhou W, von Delft F, Lee A, Kirkegaard K, Sjö P, **Fraser JS**, Chodera JD" -# journal: +authors: "MacDermott-Opeskin H, Scheen J, Wognum C, Horton JT, West D, Payne AM, Castellanos MA, Colby S, Griffen E, Cousins D, Stacey J, Reid L, Aschenbrenner JC, Fearon D, Balcomb B, Marples P, Tomlinson CWE, Lithgo R, Godoy AS, Winokan M, Barr H, Lahav N, Lavi M, Duberstein S, Cohen G, Fate G, Lefker B, Robinson R, Szommer T, Lynch N, Minh DDL, La VNTL, Kang L, Huddleston K, Renslow R, Tollefson M, Walters WP, Xu C, Hsu J, St-Laurent J, Etsmoberg H, Zhu L, Quirke A, Haleem MIA, Alibay I, Baid G, Birnbaum B, Bishop KP, Bohorquez H, Bose A, Brown CJ, Burns J, Cai L, Cedeno R, de Cesco S, Chupakhin V, Clark F, Cole DJ, Corbi-Verge C, Danial M, Davi A, Dehaen W, Doering NP, Dougha A, Dréanic MP, Eakin B, Ehrlich A, Elijosius R, Fülöp J, Gitter A, Goossens K, Gu Y, Head-Gordon T, Hoffer L, Hofmans J, Jiang E, Kaminow B, Khosravi S, Khoualdi AF, Lenselink EB, Liu Z, Liu Y, Liu S, Ma Y, Maher P, Mayer I, Mendez-Lucio O, Mey ASJS, Michel J, Montanari F, Niu T, Ogino R, Palaniappan A, Pan X, Patnaik A, Pham LH, Pinto L, Purnomo J, Rich A, Schaaf L, Schran C, Singh RK, Srilakshmi M, Srivastava SP, Sun K, Sun Z, Talagayev V, Balakrishnan BTSB, Titus I, Tkatchenko A, Treyde W, Tricarico G, Tripp A, Vithayapalert N, Wang Y, Wasi AT, Wedig S, Wolber G, Xu B, Zhou W, von Delft F, Lee A, Kirkegaard K, Sjö P, **Fraser JS**, Chodera JD" +journal: "Journal of Chemical Information and Modeling" chemrxiv: "2025-zd9mr" -pub_date: "2025-07-25" #Date of publication. Change from Biorxiv date to Journal date once accepted +pub_date: "2026-02-26" +pmid: "41749419" +doi: "10.1021/acs.jcim.5c02106" image: "/static/img/pub/2025_challenge.png" tags: - Drug Discovery From 92d02e8a875249d0af81f2bd1fc113af5a8c1dba Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Fri, 27 Feb 2026 15:55:29 +0000 Subject: [PATCH 3/4] Add doi field rendering to publications template Co-authored-by: fraserlab <6558734+fraserlab@users.noreply.github.com> --- publications/index.html | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/publications/index.html b/publications/index.html index 138a92a1c..4c4d8bf97 100644 --- a/publications/index.html +++ b/publications/index.html @@ -92,6 +92,11 @@
Access the paper
  • PMCID: {{publication.pmcid}}
    • {% endif %} + + {% if publication.doi %} +
  • DOI: {{publication.doi}}
    • + {% endif %} + {% if publication.biorxiv %} {% assign bval = publication.biorxiv %} From fac373bdb0111555bca34e95437740e54c9af4f6 Mon Sep 17 00:00:00 2001 From: "copilot-swe-agent[bot]" <198982749+Copilot@users.noreply.github.com> Date: Fri, 27 Feb 2026 15:58:39 +0000 Subject: [PATCH 4/4] Revert doi field: remove from template and 2025_challenge.md Co-authored-by: fraserlab <6558734+fraserlab@users.noreply.github.com> --- _publications/2025_challenge.md | 1 - publications/index.html | 5 ----- 2 files changed, 6 deletions(-) diff --git a/_publications/2025_challenge.md b/_publications/2025_challenge.md index 34d206f5d..4ed41cbdc 100644 --- a/_publications/2025_challenge.md +++ b/_publications/2025_challenge.md @@ -5,7 +5,6 @@ journal: "Journal of Chemical Information and Modeling" chemrxiv: "2025-zd9mr" pub_date: "2026-02-26" pmid: "41749419" -doi: "10.1021/acs.jcim.5c02106" image: "/static/img/pub/2025_challenge.png" tags: - Drug Discovery diff --git a/publications/index.html b/publications/index.html index 4c4d8bf97..138a92a1c 100644 --- a/publications/index.html +++ b/publications/index.html @@ -92,11 +92,6 @@
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  • PMCID: {{publication.pmcid}}
    • {% endif %} - - {% if publication.doi %} -
  • DOI: {{publication.doi}}
    • - {% endif %} - {% if publication.biorxiv %} {% assign bval = publication.biorxiv %}