From 1e7cf43c1a18a1362fb119953213c48987dad599 Mon Sep 17 00:00:00 2001 From: pengj28 Date: Fri, 25 Jul 2025 04:36:56 -0400 Subject: [PATCH 1/4] AIChemEco 47k amide coupling conditions (#228) This is the 47k amide coupling conditions dataset from AIChemEco and Guangzhou National Laboratory which I have been pre-reviewing with the authors. --- AIChemEco_dataset.pb.gz | 3 +++ 1 file changed, 3 insertions(+) create mode 100644 AIChemEco_dataset.pb.gz diff --git a/AIChemEco_dataset.pb.gz b/AIChemEco_dataset.pb.gz new file mode 100644 index 0000000..fae7618 --- /dev/null +++ b/AIChemEco_dataset.pb.gz @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:7f654be2fa5f49247dbafdab8ee6e8353ca33c6e296e863a9c41adb134cc4311 +size 7491556 From 46844fe9f435dd833f631d0fc387b0de7610bbe5 Mon Sep 17 00:00:00 2001 From: github-actions Date: Fri, 25 Jul 2025 08:39:03 +0000 Subject: [PATCH 2/4] Update badges --- badges/reactions.svg | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/badges/reactions.svg b/badges/reactions.svg index acebeae..009aed0 100644 --- a/badges/reactions.svg +++ b/badges/reactions.svg @@ -1 +1 @@ -Reactions: 2329105Reactions2329105 \ No newline at end of file +Reactions: 2329105Reactions2329105 \ No newline at end of file From e3058297106f5c8772cefedf9e9a3fb804d17aa0 Mon Sep 17 00:00:00 2001 From: github-actions Date: Fri, 25 Jul 2025 09:03:29 +0000 Subject: [PATCH 3/4] Update submission --- AIChemEco_dataset.pb.gz | 3 --- data/47/ord_dataset-47eaacc46c3a4487bbdf99adb1a15e41.pb.gz | 3 +++ 2 files changed, 3 insertions(+), 3 deletions(-) delete mode 100644 AIChemEco_dataset.pb.gz create mode 100644 data/47/ord_dataset-47eaacc46c3a4487bbdf99adb1a15e41.pb.gz diff --git a/AIChemEco_dataset.pb.gz b/AIChemEco_dataset.pb.gz deleted file mode 100644 index fae7618..0000000 --- a/AIChemEco_dataset.pb.gz +++ /dev/null @@ -1,3 +0,0 @@ -version https://git-lfs.github.com/spec/v1 -oid sha256:7f654be2fa5f49247dbafdab8ee6e8353ca33c6e296e863a9c41adb134cc4311 -size 7491556 diff --git a/data/47/ord_dataset-47eaacc46c3a4487bbdf99adb1a15e41.pb.gz b/data/47/ord_dataset-47eaacc46c3a4487bbdf99adb1a15e41.pb.gz new file mode 100644 index 0000000..dc1bedf --- /dev/null +++ b/data/47/ord_dataset-47eaacc46c3a4487bbdf99adb1a15e41.pb.gz @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:103c485fc009ee66f525c140611c8596d31f0673cdbb2ec16ec497ea44a58f6f +size 8753257 From 316a772f351d5e518d76af8123c0ecbfd9e833e2 Mon Sep 17 00:00:00 2001 From: github-actions Date: Fri, 25 Jul 2025 15:53:26 +0000 Subject: [PATCH 4/4] Update badges --- badges/reactions.svg | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/badges/reactions.svg b/badges/reactions.svg index 009aed0..2051ac4 100644 --- a/badges/reactions.svg +++ b/badges/reactions.svg @@ -1 +1 @@ -Reactions: 2329105Reactions2329105 \ No newline at end of file +Reactions: 2376120Reactions2376120 \ No newline at end of file