icamps Goto Github PK
Name: Ihosvany Camps
Type: User
Company: Physics Department. Federal University of Alfenas
Location: Alfenas. MG. Brazil
Blog: icamps
Name: Ihosvany Camps
Type: User
Company: Physics Department. Federal University of Alfenas
Location: Alfenas. MG. Brazil
Blog: icamps
DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
dockECR: open consensus docking and ranking protocol for virtual screening of small molecules
This is a repository of various scripts and meta-scripts that could be written in bash and python programming languages, which could help to run protocols involved in docking and virtual screening. Pricipally tested for use on ubuntu 16. I could be updating the repository gradually! If you have any questions or doubts, please send me an email to [email protected]
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
APBS & PDB2PQR - software for biomolecular electrostatics and solvation
A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)
Effective Mass Calculator for Semiconductors
energetic sorting of conformer rotamer ensembles
Active Learning for Machine Learning Potentials
Flexible Artificial Intelligence Docking
FLexible InteRaction Tool (FLIRT) VMD script for summarizing interactions in MD simulations.
FragIt main repository
A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
Google Drive CLI Client
It's an general repository containing multiple script for several task into computational biophysics or biology.
Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation
obtain free SSL certificates from letsencrypt ACME server Suitable for automating the process on remote servers.
gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.
A deep learning framework for molecular docking
Radar chart for gnuplot
Benchmarks for generative chemistry
GUI4dft - first free SIESTA oriented GUI
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
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.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.