Name: Hugo MacDermott-Opeskin
Type: User
Company: ASAP Discovery / @omsf
Bio: Senior Software Scientist @asapdiscovery @choderalab
Twitter: hugomacdermott
Location: Memorial Sloan Kettering Cancer Center
I'm a research software engineer working at the interface of molecular simulation, biophysics, and high performance computing.
psaa_metal_ion_ff_comparison
Supplementary data for paper on PsaA force-field comparison.
psabc_dynamics
Investigating the dynamics of the PsaBC ABC importer
psi4
Open-Source Quantum Chemistry ā an electronic structure package in C++ driven by Python
python-novice-gapminder
Plotting and Programming in Python
pytng
Python bindings for TNG file format
pytng-feedstock
A conda-smithy repository for pytng.
pytorch_geometric-feedstock
A conda-smithy repository for pytorch_geometric.
qmtools
reinvent-chemistry
rh_carbido_nmr
rh_nhcs_nmr
Calculating chemical shifts of Rhodium containing analogues of N-heterocyclic carbenes
rumenuff
RUMENUFF
solvation-analysis
A set of functions and analysis classes for solvation structure analysis
solvation_analysis-feedstock
A conda-smithy repository for solvation_analysis.
sql-ecology-lesson
Data Management with SQL for Ecologists
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
stor_accuracy_comparison
Basic program to investigate accuracy of fractional to real space conversion code from MDAnalysis
sushi
Computer set-ups, shell environments, installation notes, etc.
th
Standalone C TH library
tmenc_flux
MD trajectories and analysis scripts for a forthcoming paper.
trapezoidal.rs
Fun little toy program to integrate functions using trapezoidal rule in rust
userguide
User Guide for MDAnalysis (GSoD Project)
vcl2_everywhere
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
š Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. ššš
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ā¤ļø Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
