StevenW yuhangwang

NOTE: The more standard way to build midipix these days is to use this shell script that someone else made https://github.com/lalbornoz/midipix_build
NOTE: I have started working on PKGBUILDs here: https://github.com/DavidEGrayson/midipix-packages

Getting started with midipix

Let's compile midipix from source and play with it!

	import numpy as np
	import torch
	from torch import nn
	from torch import Tensor
	from torch.func import functional_call
	import torchopt
	import matplotlib.pyplot as plt


	class SimpleNN(nn.Module):

	#!/bin/bash
	## Entrypoint for docker RUN directives as well as ENTRYPOINT with conda env
	## Enable by adding:
	## COPY entry.sh ./
	## SHELL ["/entry.sh", "/bin/bash", "-c"]
	##
	## Optionally, set the following env to select a conda env to run in
	## ENV CONDA_DEFAULT_ENV=foo
	## You may also want to add something like
	## RUN conda init bash && echo 'conda activate "${CONDA_TARGET_ENV:-base}"' >> ~/.bashrc

	FILES=*.rst
	for f in $FILES
	do
	filename="${f%.*}"
	echo "Converting $f to $filename.md"
	`pandoc $f -f rst -t markdown -o $filename.md`
	done

	# First install tmux
	brew install tmux

	# For mouse support (for switching panes and windows)
	# Only needed if you are using Terminal.app (iTerm has mouse support)
	Install http://www.culater.net/software/SIMBL/SIMBL.php
	Then install https://bitheap.org/mouseterm/

	# More on mouse support http://floriancrouzat.net/2010/07/run-tmux-with-mouse-support-in-mac-os-x-terminal-app/

	import sys
	from rdkit import Chem
	from rdkit.Chem import AllChem, TorsionFingerprints
	from rdkit.ML.Cluster import Butina


	def gen_conformers(mol, numConfs=100, maxAttempts=1000, pruneRmsThresh=0.1, useExpTorsionAnglePrefs=True, useBasicKnowledge=True, enforceChirality=True):
	ids = AllChem.EmbedMultipleConfs(mol, numConfs=numConfs, maxAttempts=maxAttempts, pruneRmsThresh=pruneRmsThresh, useExpTorsionAnglePrefs=useExpTorsionAnglePrefs, useBasicKnowledge=useBasicKnowledge, enforceChirality=enforceChirality, numThreads=0)
	return list(ids)

	// gcc -std=c99 -O3 -fPIC -shared -Wl,-soname,mylib -o mylib.so mylib.c

	#include <stdio.h>
	#include <complex.h>

	int build_hamiltonian(int i, double d, complex double *m)
	{
	m[0]=2.*I;
	return 0;
	}