raulppelaez Goto Github PK

nnpops-feedstock

A conda-smithy repository for nnpops.

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmm-feedstock

A conda-smithy repository for openmm.

openmm-plumed-feedstock

A conda-smithy repository for openmm-plumed.

openmm-torch

OpenMM plugin to define forces with neural networks

openmm-torch-feedstock

A conda-smithy repository for openmm-torch.

opensycl

Multi-backend implementation of SYCL for CPUs and GPUs

oscillatingwall

A DPD simulation of an oscilating wall using UAMMD

papersum

Summarize papers with an LLM

periodicboundaryconditions

Apply PBC to the positions in a file with a UNIX-like interface

phd

My Ph.D. manuscript and dissertation with latex sources

phd-dissertation

punto2

fixed version of mrevenga's punto 1.0.04

pyg-lib-feedstock

A conda-smithy repository for pyg-lib.

pytorch-cpu-feedstock

A conda-smithy repository for pytorch-cpu.

pytorch_sparse-feedstock

A conda-smithy repository for pytorch_sparse.

radialdistributionfunction

An utility that computes the radial distribution function of the positions in a file. It can perform the computation using CPU or GPU and Nbody or neighbour list.

raulppelaez

Config files for my GitHub profile.

real-randomizer

A Spotify Web API app for properly shuffling playlists.

recurrentrandomneuralnetworkchaos

A project that studies the chaotic properties of a recurrent random neural network before and after training it to reproduce a custom input.

simpleljmc

A simple code to perform a Monte Carlo Simulation of a Lennard Jonnes fluid for instructional propourses.

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

superio

A small c++ header to read numbers from a file at wc like speeds

superpunto

Punto compatible particle visualizator. Using SFML and modern OpenGL

torchani

Accurate Neural Network Potential on PyTorch

torchani-feedstock

A conda-smithy repository for torchani.

torchmd

End-To-End Molecular Dynamics (MD) Engine using PyTorch

torchmd-net

Neural network potentials based on graph neural networks and equivariant transformers

torchmd-net-feedstock

A conda-smithy repository for torchmd-net.

triton-feedstock

A conda-smithy repository for triton.