Pinned Repositories
DeepAttentionPan
GATGNN
Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction
Awesome-Machine-learning-for-discovery-of-physical-laws
A curated list of awesome resources on using machine learning and data science for discovery of physical laws
BERTOS
BERTOS: transformer for oxidation state prediction
CSPBenchMetrics
Benchmark metrics for crystal structure prediction
deeperGATGNN
Scalable graph neural networks for materials property prediction
DeepSeqPan
A sequence-based pan model for peptide-MHC I binding affinity prediction.
GMTransformer
materialsUQ
Uncertainty Quantification for Materials Property Prediction: a Benchmark Study
mtransformer
Materials Transformers
usccolumbia's Repositories
usccolumbia/deeperGATGNN
Scalable graph neural networks for materials property prediction
usccolumbia/mtransformer
Materials Transformers
usccolumbia/GMTransformer
usccolumbia/BERTOS
BERTOS: transformer for oxidation state prediction
usccolumbia/CSPBenchMetrics
Benchmark metrics for crystal structure prediction
usccolumbia/materialsUQ
Uncertainty Quantification for Materials Property Prediction: a Benchmark Study
usccolumbia/tsdnn
Twin-deep neural network for semi-supervised learning of materials properties
usccolumbia/MD-HIT
MD-HIT algorithms for reducing redundancy of materials datasets (similar to CD-HIT in bioinformatics)
usccolumbia/AlphaCrystal
AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
usccolumbia/materialsatlas
usccolumbia/matglobalmapping
Global mapping of inorganic materials
usccolumbia/Awesome2Dmaterials
usccolumbia/blmm
Language model for materials composition generation
usccolumbia/phononvibfrequency
Phonon Vibration Frequency Prediction
usccolumbia/Acitve-Generative-Design
usccolumbia/cmcrystal
Crystal structure reconstuction from contact map matrix
usccolumbia/Geom3D
Geom3D: Geometric Modeling on 3D Structures
usccolumbia/DSSL
Physics guided dual self-supervised learning for materials property prediction
usccolumbia/matdiffusion
Diffusion model for material composition design
usccolumbia/SLICES
Text2Crystal; SLICES: An Invertible, Symmetry-invariant, and String-based Crystallographic Representation.
usccolumbia/AIMaterialScripts
usccolumbia/awesome-rl
Reinforcement learning resources curated
usccolumbia/Crystal-Composition-Transformer
Code of Crystal Composition Transformer
usccolumbia/crystaltransformer
usccolumbia/cspbenchmark
Benchmark of crystal structure prediction algorithms
usccolumbia/docs
Materials Project Documentation
usccolumbia/PGCGM
Source code for generating materials with 20 space groups using PGCGM
usccolumbia/SEN_model_materials_property_prediction
usccolumbia/transformer-xl
usccolumbia/zhidongwang_essay
Essays of Prof. Zhidong Wang