Blog
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Which companies it makes sense to work for
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Christmas Special
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European Winter Schedule
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In Support of Tests Coverage
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Lessons learned refactoring Pulumi programs
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Deploying a Create React App to AWS with Pulumi (part III)
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Deploying a Create React App to AWS with Pulumi (part II)
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Deploying a Create React App to AWS with Pulumi
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Rescuing a decade old scientfic database
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Escape from the Blogger Alcatraz
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Look who's back
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Cool pandas hack - get random rows in a multi-column dataframe
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Example slurm cluster on your laptop (multiple VMs via vagrant)
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Making DESMOND easier to run on a cluster
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What was that password again?
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Benchmarking GROMACS – 2 Quick Questions
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Pharma, You're Not a Good Place to Go
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VNC Connect from Mac OSX El Capitan to Ubuntu Linux
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Testing Modern Symfony Apps
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Gromacs 5.x on TITAN Cray machine
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Symfony cumulative ACL isGranted
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Force-field parametrization, multiple birds with multiple stones – with REST2
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Modeller - quick start, filling loops in the DUDE protein receptor structures
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React/Redux first contact - it's not that different at all, a pocket guide for ex-PHP dev
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M(e)LT build for SC2
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gromacs and plumed2 with intel compilers
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Native contact (Q) biasing in GROMACS and plumed2
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Scripting paramchem.org access
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Feeling the burn: DPPC lipid CHARMM36 with gromacs
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Publication-quality matplotlib figures
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Merge force-fields in gromacs
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Using gdb with gromacs
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Gromacs games
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React.js -- edit and delete comments in CommentBox
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Compile plumed 2 with gromacs 4.6 on ubuntu 14.04
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gromacs 5.0 - first look
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Performance of a popular docking code
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SDF to Excel file, in an automated fashion
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Measuring the performance of ligand-based methods
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Adding a simple cuda library to RDKit
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ROCS-like shape overlap in rdkit
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Conformer generation
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Make a molecule dissapear in gromacs
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High-frequency lunch booking
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Acetylated lysine and negatively charged cysteine for CHARMM protein force-field
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Measuring docking code performance
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Deposit Silicos-it Shape-it as an Ubuntu 12.04 package in a personal PPA
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Build Desmond-3.4.0.2 on Ubuntu 12.04 64-bit
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Wrapping openbabel in python - using cython
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Wrapping openbabel in python - accessing C++ via boost with setup.py
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Silicos shape-it as a free alternative to OpenEye ROCS?
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Benchmarking molecular fingerprints
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Do the quarterly results add up to the yearly ones -- sanity check for WIG20
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How close are the quaterly reported results to the yearly ones (for KGHM)
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Pushing with python analysis of WIG
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Python analysis of WIG
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Electorostatics artifacs in water simulations