diff --git a/Examples/github_DATA/alchemical/DDGs b/Examples/github_DATA/alchemical/DDGs new file mode 100644 index 0000000..046b1ad --- /dev/null +++ b/Examples/github_DATA/alchemical/DDGs @@ -0,0 +1,3 @@ +name,A1,A2,A3,A4,A5,B1,B2,B3,B4,B5 +exp. value,6.3,1.7,7.1,-2.5,-1.7,2.5,2.1,5.4,8.6,1.7 +uncertainty,0.5,0.9,0.9,1.2,0.9,2.1,1.3,1.3,0.8,1.0 diff --git a/Examples/github_DATA/alchemical/DQs.npy b/Examples/github_DATA/alchemical/DQs.npy new file mode 100644 index 0000000..3da1ccc Binary files /dev/null and b/Examples/github_DATA/alchemical/DQs.npy differ diff --git a/Examples/github_DATA/alchemical/cos_etas/cos_eta_A1_MD.npy b/Examples/github_DATA/alchemical/cos_etas/cos_eta_A1_MD.npy new file mode 100644 index 0000000..13e775a Binary files /dev/null and b/Examples/github_DATA/alchemical/cos_etas/cos_eta_A1_MD.npy differ diff --git a/Examples/github_DATA/alchemical/cos_etas/cos_eta_A1_MS.npy b/Examples/github_DATA/alchemical/cos_etas/cos_eta_A1_MS.npy new file mode 100644 index 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of kJ/mol (k_B T = 2.476 kJ/mol = 298 K \ No newline at end of file