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Kazufumi Ohkawa kzfm

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@kzfm
kzfm / gaston.py
Created January 12, 2010 04:35
import openbabel as ob
import os.path,sys,re
from tempfile import mkstemp
def to_gasfile(input,type="sdf"):
""" convert file to gaston format"""
(n,gastonfile) = mkstemp()
f = open(gastonfile, 'w')
@kzfm
kzfm / gamess.py
Created November 6, 2010 08:47
GAMESS
import openbabel as ob
from tempfile import mkstemp, mkdtemp
from os import removedirs, unlink, system, environ
import re
import os.path
import string
from random import choice
def randstr(n):
"""ランダムなファイル名を生成するため"""
@kzfm
kzfm / table.html
Created December 4, 2011 08:39
HTML5 table sample
<table>
<tr>
<th>Item</th>
<th>Price</th>
<th>Quantity</th>
<th>Total</th>
</tr>
<tr>
<td>Coffee mug</td>
<td>$10.00</td>
@kzfm
kzfm / jqmtweet.jade
Created March 20, 2012 09:25
jQuery Mobile Tweet
!!! 5
html
head
title jqm Tweet
link(rel="stylesheet", href="http://code.jquery.com/mobile/1.0/jquery.mobile-1.0.min.css")
script(src="http://code.jquery.com/jquery-1.7.1.min.js")
script(src="http://code.jquery.com/mobile/1.0/jquery.mobile-1.0.min.js")
meta(name="viewport", content="width=device-width, initial-scale=1")
meta(charset="UTF-8")
style
@kzfm
kzfm / gist:2318538
Created April 6, 2012 09:44
todo.coffee
$ ->
Todo = Backbone.Model.extend(
defaults: ->
title: "empty todo..."
order: Todos.nextOrder()
done: false
initialize: ->
@set title: @defaults.title unless @get("title")
@kzfm
kzfm / googlemaptest.html
Created May 10, 2012 21:55
googlemapsでクリックするとtwittericonでマーカーが設置されるサンプル
<!DOCTYPE html><html><head><script type="text/javascript" src="http://maps.google.com/maps/api/js?sensor=false"></script><link rel="stylesheet" href="style.css"><script>var map;
function initialize() {
var myLatlng = new google.maps.LatLng(35.360556,138.727778);
var myOptions = {
zoom: 11,
center: myLatlng,
mapTypeId: google.maps.MapTypeId.ROADMAP
}
map = new google.maps.Map(document.getElementById("map_canvas"), myOptions);
@kzfm
kzfm / recap.py
Created August 20, 2012 08:19 — forked from anonymous/recap.py
import openbabel
# Copyright 2009 TJ O'Donnell
class recap:
# RECAP-Retrosynthetic Combinatorial Analysis Procedure
# J. Chem. Inf. Comput. Sci. 1998, 38, 511-522
def __init__(self, mol, minsize=5):
self.mol = mol;
# minimum allowed size (atom count) of fragment
self.minsize = minsize;
# bonded atom pairs populated by the apply method,
@kzfm
kzfm / hasflymake
Created November 24, 2012 06:00
haskell-flymake
(autoload 'ghc-init "ghc" nil t)
(add-hook 'haskell-mode-hook '(lambda ()
(ghc-init)
(local-set-key "\C-j" (lambda () (interactive)(insert " -> ")))
(local-set-key "\M-j" (lambda () (interactive)(insert " => ")))
(local-set-key "\C-l" (lambda ()(interactive)(insert " <- ")))
))
(defadvice inferior-haskell-load-file (after change-focus-after-load)
"Change focus to GHCi window after C-c C-l command"
@kzfm
kzfm / sample.el
Created November 24, 2012 06:13
sample_init.el
;;; packages.el
(require 'package)
(add-to-list 'package-archives '("melpa" . "http://melpa.milkbox.net/packages/") t)
(add-to-list 'package-archives '("marmalade" . "http://marmalade-repo.org/packages/"))
(package-initialize)
; 言語を日本語にする
(set-language-environment 'Japanese)
; 極力UTF-8とする
@kzfm
kzfm / gist:5472037
Last active December 16, 2015 17:40
ml1
setwd("/Users/kzfm/lang/rcode/ML_for_Hackers/01-Introduction/")
ufo <- read.delim("data/ufo/ufo_awesome.tsv", sep="\t", stringsAsFactors=FALSE, header=FALSE, na.strings="")
names(ufo) <- c("DateOccurred", "DateReported", "Location", "ShortDescription", "Duration", "LongDescription")
good.rows <- ifelse(nchar(ufo$DateOccurred) !=8 | nchar(ufo$DateReported) !=8, FALSE, TRUE)
ufo <- ufo[good.rows,]
ufo$DateOccurred <- as.Date(ufo$DateOccurred, format="%Y%m%d")
ufo$DateReported <- as.Date(ufo$DateReported, format="%Y%m%d")
get.location <- function(l) {
split.location <- tryCatch(strsplit(l,",")[[1]], error= function(e) return(c(NA, NA)))
clean.location <- gsub("^ ", "", split.location)