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Maciej Wójcikowski mwojcikowski

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@esperlu
esperlu / mysql2sqlite.sh
Created April 27, 2011 05:46
MySQL to Sqlite converter
#!/bin/sh
# Converts a mysqldump file into a Sqlite 3 compatible file. It also extracts the MySQL `KEY xxxxx` from the
# CREATE block and create them in separate commands _after_ all the INSERTs.
# Awk is choosen because it's fast and portable. You can use gawk, original awk or even the lightning fast mawk.
# The mysqldump file is traversed only once.
# Usage: $ ./mysql2sqlite mysqldump-opts db-name | sqlite3 database.sqlite
# Example: $ ./mysql2sqlite --no-data -u root -pMySecretPassWord myDbase | sqlite3 database.sqlite
@lsauer
lsauer / InChi.js
Created October 25, 2011 14:13
Regular Expressions for validating SMILES, InChi, InChiKey
// International Chemical Identifier Regex, by lo sauer - lsauer.com
// Morphine InchI:
var x="InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1"
// applying an organic character-subset
// we could check for the length property, but in case of 0 matches 'null' is returned -> hence !!.. \ generally equal to Boolean(..)
!!x.trim().match(/^((InChI=)?[^J][0-9BCOHNSOPrIFla+\-\(\)\\\/,pqbtmsih]{6,})$/ig)
>true
//generic:
x.trim().match(/^((InChI=)?[^J][0-9a-z+\-\(\)\\\/,]+)$/ig)
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@ck-on
ck-on / ocp.php
Last active May 18, 2024 22:35
OCP - Opcache Control Panel (aka Zend Optimizer+ Control Panel for PHP)#ocp #php #opcache #opcode #cache #zend #optimizerplus #optimizer+
<?php
/*
OCP - Opcache Control Panel (aka Zend Optimizer+ Control Panel for PHP)
Author: _ck_ (with contributions by GK, stasilok)
Version: 0.1.7
Free for any kind of use or modification, I am not responsible for anything, please share your improvements
* revision history
0.1.7 2015-09-01 regex fix for PHP7 phpinfo
0.1.6 2013-04-12 moved meta to footer so graphs can be higher and reduce clutter
@madgpap
madgpap / MDS
Last active January 3, 2016 23:59
MDS visualisation with ChEMBL and Python scientific libs
{
"metadata": {
"name": "MDS"
},
"nbformat": 3,
"nbformat_minor": 0,
"worksheets": [
{
"cells": [
{
@hest
hest / gist:8798884
Created February 4, 2014 06:08
Fast SQLAlchemy counting (avoid query.count() subquery)
def get_count(q):
count_q = q.statement.with_only_columns([func.count()]).order_by(None)
count = q.session.execute(count_q).scalar()
return count
q = session.query(TestModel).filter(...).order_by(...)
# Slow: SELECT COUNT(*) FROM (SELECT ... FROM TestModel WHERE ...) ...
print q.count()
@mcs07
mcs07 / tautomer.py
Created April 3, 2014 15:20
Rough first go at tautomer enumeration and canonicalization using RDKit in Python
#!/usr/bin/env python
# -*- coding: utf-8 -*-
import copy
from itertools import tee, izip
import logging
from rdkit import Chem
from rdkit.Chem.rdchem import BondType, BondStereo, BondDir
__author__ = 'Matt Swain'
@bougui505
bougui505 / dockprep.py
Last active November 27, 2017 11:37
run dock prep from command line with: chimera --nogui file.pdb dockprep.py outfilename.mol2
import chimera
from DockPrep import prep
models = chimera.openModels.list(modelTypes=[chimera.Molecule])
prep(models)
from WriteMol2 import writeMol2
writeMol2(models, "dp.mol2")
// Slightly modified Adalight protocol implementation that uses FastLED
// library (http://fastled.io) for driving WS2811/WS2812 led stripe
// Was tested only with Prismatik software from Lightpack project
#include "FastLED.h"
#define NUM_LEDS 114 // Max LED count
#define LED_PIN 6 // arduino output pin
#define GROUND_PIN 10
#define BRIGHTNESS 255 // maximum brightness
@sgsfak
sgsfak / Drugbank parse to DB
Last active December 23, 2018 08:11
Parse DrugBank XML file with xmlstarlet
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