Pinned Repositories
1stLBMunal
Repository of the first workshop on Lattice-Boltzmann methods at Universidad Nacional de Colombia - December 2017
fruitfly
Utilities and CLI for molbloom filters
ijpulidos.github.io-source
Source code for ijpulidos.github.io site/blog.
mdcli
Some tools for the analysis and pre/post-processing of molecular dynamics data.
QLB
My implementation of the Quantum Lattice Boltzmann method for simulating Quantum Physics systems.
solar-physics-ex
Public repository to check my current involvement into solar physics and little projects related to it.
StatMech
This repository is going to host solutions and routines for Sethna's book on Statistical Mechanics among other things
ijpulidos's Repositories
ijpulidos/mdcli
Some tools for the analysis and pre/post-processing of molecular dynamics data.
ijpulidos/fruitfly
Utilities and CLI for molbloom filters
ijpulidos/acpype
OFFICIAL: AnteChamber PYthon Parser interfacE
ijpulidos/admin-requests
ijpulidos/amber-ff-porting
Scratch space for porting amber FFs into SMIRNOFF format
ijpulidos/asapdiscovery-feedstock
A conda-smithy repository for asapdiscovery.
ijpulidos/conda-forge-repodata-patches-feedstock
A conda-smithy repository for conda-forge-repodata-patches.
ijpulidos/ec2-github-runner
On-demand self-hosted AWS EC2 runner for GitHub Actions
ijpulidos/espaloma_charge-feedstock
A conda-smithy repository for espaloma_charge.
ijpulidos/experiments-binding-affinity
ijpulidos/feflow-feedstock
A conda-smithy repository for feflow.
ijpulidos/gromacs-constantph-apptainer
Temporary space for hosting apptainer def files for gromacs constantph
ijpulidos/gufe
grand unified free energy by OpenFE
ijpulidos/kinodata
Collection of scripts / notebooks to reliably select datasets
ijpulidos/kinoml
Structure-informed machine learning for kinase modeling
ijpulidos/mol-substructure-sandbox
Little personal corner to play with substructure perception and hierarchy in molecules
ijpulidos/molchiridion
Nonsense snippets and recipes related to my dive into molecular dynamics and free energy calculations
ijpulidos/mpiplus-feedstock
A conda-smithy repository for mpiplus.
ijpulidos/openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
ijpulidos/openff-toolkit-feedstock
A conda-smithy repository for openff-toolkit.
ijpulidos/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
ijpulidos/openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
ijpulidos/openmmtools-feedstock
A conda-smithy repository for openmmtools.
ijpulidos/perses-feedstock
A conda-smithy repository for perses.
ijpulidos/protein-ligand-benchmark
Protein-Ligand Benchmark Dataset for Free Energy Calculations
ijpulidos/scikit-learn
scikit-learn: machine learning in Python
ijpulidos/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
ijpulidos/strawman
ijpulidos/timemachine
Differentiate all the things!
ijpulidos/tutorial
This is a tutorial we are using for Django Girls workshops