layeqa Goto Github PK
Type: User
Twitter: Clark45657011
Location: Bayamón, Puerto Rico
Type: User
Twitter: Clark45657011
Location: Bayamón, Puerto Rico
ExifTool meta information reader/writer
Image metadata library and tools
Tools and infrastructure for automated compound discovery using Folding@home
Tools for Munging Folding@Home datasets
Avoid PubChemPy TimeoutError due to PUG data limits
Systematic force field optimization.
An RNA manipulation library.
Adaptive sampling methods for optimising simulations
Scaffold hopping between bound compounds by stitching them together like a reanimated corpse.
Fragment molecules for quantum mechanics torsion scans
Experimental and calculated small molecule hydration free energies
For the MD simulation of liquid-crystalline DPPC bilayers.
Graph convolutional networks for partial atomic charges
Geometry optimization code that includes the TRIC coordinate system
Gibbs sampling for expanded ensembles and replica exchange simulations
GIBS: Grand Canonical Monte Carlo (GCMC) simulation program for simulating ion-biomolecule interactions with molecular solvent models
Graph Inference on MoLEcular Topology
Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network
A deep learning framework for molecular docking
Extract PDB entries annotated with specific GO codes
General experimentation on MSMs with GPCRs
A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.
Implementation of https://arxiv.org/abs/1703.00792.
Benchmarks for generative chemistry
Experimental small molecule hydration free energy dataset
A library for visualizing haplotype data in the form a colored matrix.
Host-guest system data and simulations
All Human Serum Albumin affinity measurements will be deposited here.
Adjusts topology files with GAFF to have GAFF-DC charges
Open source toolkit for predicting bacterial porin permeation
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.