charnley

#!/bin/bash
curl -LH "Accept: application/x-bibtex;q=1" http://dx.doi.org/$1
echo

charnley

from builtins import range

print(type(range(0)))

charnley

map <Leader>pt :pintab<CR>
map <Leader>ut :unpintab<CR>
set noautofocus
let mapleader = ","
let hintcharacters = "sadfjklewcmpgh"
site '*://(soundcloud|(hangouts|mail|inbox|calendar).google|*\.todoist.|*\.messenger).com/*' {
  call :pintab
}

let blacklists = ["http://regiosqm.org/*","https://www.messenger.com/*","https://mail.google.com/*","https://drive.google.com/*","http://localhost/*","http://hackertyper.com/*"]

charnley

44
structure 44
N       3.43546000     -1.39128000      0.03454000
C       3.05470000     -0.12617000     -0.19176000
C       1.76133000      0.17977000     -0.62198000
C       0.76863000     -0.81576000     -0.78890000
C      -0.65327000     -0.34931000     -1.22433000
O       0.90556000     -2.03611000     -0.62312000
C      -1.70339000     -0.50569000     -0.07676000
C      -3.06562000      0.24255000     -0.29363000

charnley

import numpy as np
from rdkit import Chem

# examples
# C=[NH+]C
component = "C=[NH+]"
component = "[NH+]C"

# C[S+](C)C
component = "C[S+]"

charnley

import numpy as np
import scipy


def kpca(K, n=2, centering=True):
    
    assert K.shape[0] == K.shape[1], "Square matrix required for Kernel PCA."
    assert np.allclose(K, K.T, atol=1e-8), "Symmetric matrix required for Kernel PCA."

    # First center kernel.

charnley

files=("$@")

reverse() {
    # first argument is the array to reverse
    # second is the output array
    declare -n arr="$1" rev="$2"
    for i in "${arr[@]}"
    do
        rev=("$i" "${rev[@]}")

charnley

import numpy as np
from scipy.interpolate import interp1d

import matplotlib.pyplot as plt
from mpl_toolkits.mplot3d import Axes3D


def interpnjck(q, qi, a, method="linear"):

    # Warning:

charnley

import multiprocessing as mp
workers = mp.cpu_count()

multithread = False

if multithread:
    workers /= 2
    
    
def submit_molecule(mol):

charnley

PY=python3

all:
	find data -name "*.txt" | ${PY} test.py

data:
	mkdir -p data
	for x in `seq 1 150`; do echo $$x; ./generate_password.sh > data/$$x.txt; done