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Update examples/1_formation_energy/formation_energy.jl
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Co-authored-by: github-actions[bot] <41898282+github-actions[bot]@users.noreply.github.com>
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DhairyaLGandhi and github-actions[bot] authored Jan 6, 2022
1 parent a4560ed commit 05946fa
Showing 1 changed file with 7 additions and 3 deletions.
10 changes: 7 additions & 3 deletions examples/1_formation_energy/formation_energy.jl
Original file line number Diff line number Diff line change
Expand Up @@ -8,9 +8,13 @@ using Flux: @epochs
using ChemistryFeaturization
using AtomicGraphNets

function build_graphs(prop, featurization; data_dir = nothing,
num_pts = nothing,
verbose = false)
function build_graphs(
prop,
featurization;
data_dir = nothing,
num_pts = nothing,
verbose = false,
)
info = CSV.read(joinpath(data_dir, prop * ".csv"), DataFrame)
y = Array(Float32.(info[!, Symbol(prop)]))

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