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@tonigi
tonigi / condacolab-gromacs.ipynb
Last active July 9, 2024 15:44
Copy of Welcome To Colab
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@tonigi
tonigi / 00_parse_nlmcatalog.py
Last active July 2, 2020 22:46
Parse NLM Catalog journal list
import pandas as pd
dl = []
d={}
with open("J_Medline.txt","r") as f:
for l in f:
l = l.strip()
if "----" in l:
dl.append(pd.Series(d))
d={}
@tonigi
tonigi / README-users.md
Last active April 10, 2020 09:27
Draft gpcrmd installation

Toni: I see two ways to distribute the software:

  1. Semi-manual install using Vagrant. Draft instructions are below, based on Ismael's. All the relevant repositories must be made publicly-readable.

  2. Alternatively, distribute a self-contained, pre-ready "Vagrant Box". The latter should be easy and stable (doesn't depend on external downloads disappearing) but I have not tried it yet. There shouldn't be software license problems

Neither of the two works right now, because of some missing initialization.

GPCRmd: Local installation instructions

@tonigi
tonigi / HTMD_on_OSX.md
Last active October 31, 2019 13:33
Unofficial and unsupported way to use HTMD on OSX
@tonigi
tonigi / xxd-i.py
Created December 3, 2018 18:21
Replacement for xxd
#!/usr/bin/env python3
# Replaces xxd -i for systems without it (e.g. conda). Only stdin.
import sys
import textwrap
data=sys.stdin.buffer.read()
#xdata=", ".join([hex(x) for x in data])
xdata=", ".join([f'0x{y:02x}' for y in data])
@tonigi
tonigi / stan_iterative.cpp
Created September 1, 2017 21:29
Test autodifferentiation of a function computed via an iterative algorithm (Newton's method).
/*
* Test autodifferentiation of a function computed via an iterative
* algorithm (Newton's method).
*/
#include <cmath>
#include <stan/math/rev/mat.hpp>
#include <time.h>
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@tonigi
tonigi / README.txt
Created June 3, 2016 09:43
JModelica build
Using Fedora's ipopt
../configure --prefix=$HOME/Apps/jmodelica --with-ipopt=/usr --with-eclipse=$HOME/Apps/eclipse
make
export SUNDIALS_HOME=/home/toni/compile/JModelica.org/build/sundials_install
export JAVA_HOME=/usr/java/latest/

Note VQR

Summary

In prima approssimazione, si tratta di scegliere articoli usciti su riviste buone ma che abbiano contemporaneamente un buon numero di citazioni, dove la definizione di buon dipende dai parametri di cui sotto. Se il numero di citazioni ("valutazione bibliometrica") è

@tonigi
tonigi / install_vmd_plugin.md
Last active June 21, 2024 10:57
Install a VMD plugin

Installation of VMD plugins

These are common instructions for my VMD plugins.

Before you begin. Download the latest release and extract it in a directory of your choice.

Quick-and-dirty, no-installation method