dkoes Goto Github PK

3dmol.js-classroom-response-system

anitrain

scripts for training on ANI data

apbs-pdb2pqr

APBS and PDB2PQR software

asacalc

Solvent accessible surface area of PDB files

asker.js

A simple jquery plugin for asking a question and recording the answer

bioconda-recipes

Conda recipes for the bioconda channel.

caesar-web

Caesar is a research project designed to facilitate crowd-sourced collaborative code review in software engineering classes.

cdnjs

The #1 free and open source CDN built to make life easier for developers.

cellprofiler

CellProfiler is open-source cellular image analysis software.

celpp

chap

CHAP is a tool for the functional annotation of ion channel structures:

commandline2

This is a fork I made a long time ago of the LLVM commandline handling class since I liked it so much.

compressmd

conformer_analysis

d3r

Drug Design Data Resource is a suite of software to enable filtering, docking, and scoring of new sequences from wwpdb.

docs

Documentation for the Koes Research Group. Most likely woefully inadequate.

effortrack

Web interface for tracking effort on projects within a small to medium organization

elasticluster

Create clusters of VMs on the cloud and configure them with Ansible.

equibind

EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein

glmol

A molecular viewer written in Javascript and WebGL

gnina-1.0

Paper for release

gnina-celpp

jiffylab

zero configuration Python/Unix web based teaching env

journalclub

leadit

Under development

ligan

Deep generative models for structure-based drug discovery

linemd

Executes linear MD simulations with AMBER in order to simulate distance or RMSD changes without bias of steered molecular dynamics

martinize.py

Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.

mathslax

Slack plugin to render math using MathJax

md-scripts

A collections of scripts for working molecular dynamics simulations