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#!/usr/bin/env Rscript
library(Rtsne)
library(ggplot2)
args = commandArgs(trailingOnly=TRUE)
data = read.csv(args[1],header=F)
smi = data[,1]
data[,1] = NULL
m = as.matrix(data)
set.seed(66)
tsne = Rtsne(m,verbose=T,check_duplicates=F)
write.csv(data.frame(smiles= smi, x = tsne$Y[,1], y = tsne$Y[,2]),args[2],row.names=F)
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