thglab Goto Github PK
Name: THGLab
Type: Organization
Bio: Teresa Head-Gordon's Research Group
Location: University of California, Berkeley
Name: THGLab
Type: Organization
Bio: Teresa Head-Gordon's Research Group
Location: University of California, Berkeley
UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine learning module that makes predictions from features extracted from the 3D structures of the proteins.
A code to calculate the bond dipole moment.
A generative-reinforcement model (RL-GRNN) to generate new IDP conformer ensembles biased towards experimental data.
DFT data for the hydrogen combustion reaction obtained at the level of wB97X-V/cc-pVTZ level. The data consists of energies and atomic force vectors of all 19 reaction channels involved in the combustion reaction. For reaction channel 6 two spin state calculations performed triplet and singlet states, named as 06a and 06b. Similarly, reaction channel 12 has two spin states doublet and quartet states assigned as d and q. Resultant minimum energy path for reaction 12 by choosing minimum energy between the two states is also provided with using name 12.
Building more accurate protein structures from backbone torsion angles
Predicting CCSD(T)/CBS level chemical shieldings for H/C/N/O using wB97X-V/pcSseg-1 level DFT calculations
Monte Carlo Side Chain Entropy package for generating side chain packing for fixed protein backbone
A Newtonian message passing network for deep learning of interatomic potentials and forces
An all-atom protein structure dataset for machine learning.
X-EISD – Extended Experimental Inferential Structure Determination
Generalized, modular, and faster version of X-EISD: Extended Experimental Inferential Structure Determination
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.