Ihosvany Camps's repositories
arpeggio
Calculation of interatomic interactions in molecular structures
Auto-GPT
An experimental open-source attempt to make GPT-4 fully autonomous.
ChemTSv2
Refined and extended version of ChemTS
chiraltube
Chiraltube is a small python code that prints atomic coordinates for different nanotube and nanoribbon structures in special .xyz files for their usage in other visualization, simulation or calculation software.
cif2cell
Generating geometries for electronic structure calculations from CIF files.
elpa
A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)
finetuna
Active Learning for Machine Learning Potentials
gdrive
Google Drive CLI Client
geordanoCompBiology-Biophysics
It's an general repository containing multiple script for several task into computational biophysics or biology.
gmx_MMPBSA
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
icamps.github.io
Personal web page
InvokeAI
InvokeAI is a leading creative engine for Stable Diffusion models, empowering professionals, artists, and enthusiasts to generate and create visual media using the latest AI-driven technologies. The solution offers an industry leading WebUI, supports terminal use through a CLI, and serves as the foundation for multiple commercial products.
lipyphilic
A Python toolkit for the analyis of lipid membrane simulations
mdanalysis_scripts
assorted scripts for analysing molecular dynamics simulations.
OpenDFT
Open source graphical interface to various DFT/Quantum chemistry codes
packmol
Packmol - Initial configurations for molecular dynamics simulations
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Shannon_entropy_biphase
Shannon entropy of a biphasic system using GROMACS structure files exctracted over the trajectory
Socioboard-5.0
Socioboard is world's first and open source Social Technology Enabler. Socioboard Core is our flagship product.
SpotiFlyer
Kotlin Multiplatform Music Downloader, Supports Spotify / Gaana / Youtube Music / Jio Saavn / SoundCloud.
sqsgenerator
A command line tool written in Python/C++ for finding optimized SQS structures
tex4ebook
Converter from LaTeX to ebook formats (epub, mobi). Using tex4ht and texlua scripts.
unifal-lattes
Script Lattes for UNIFAL-MG
viamd
Visual Interactive Analysis of Molecular Dynamics
vmdAssist
vmdAssist is a VMD extension with tools that help us edit or create new structures like nanotube and nanotorus.