Pinned Repositories
Anisotropic_CG_ConjPoly_Model
LAMMPS Implementation of the anisotropic coarse-grained model for conjugated polymers
CDS_Projects_2023
Repository for CDS Course Final Projects for Fall 2023
ChiralLCPolymerML
ClosedLoopTransfer
condition_set_opt
Repository for code that produces results in the paper "Active Learning High Coverage Sets of Complementary Reaction Conditions"
ContinuouslyGatedMessagePassing
ECG_ActiveLearning
Dataset and code for "Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning"
gECG_thiophene
Code for Generalized ECG for thiophene polymers paper
OMG_PhysicalProperties
OpenMacromolecularGenome
TheJacksonLab's Repositories
TheJacksonLab/OpenMacromolecularGenome
TheJacksonLab/OMG_PhysicalProperties
TheJacksonLab/ECG_ActiveLearning
Dataset and code for "Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning"
TheJacksonLab/Anisotropic_CG_ConjPoly_Model
LAMMPS Implementation of the anisotropic coarse-grained model for conjugated polymers
TheJacksonLab/RMC_LAMMPS
Repository for implementation of reactive monte carlo for doped molecular systems in LAMMPS
TheJacksonLab/ClosedLoopTransfer
TheJacksonLab/gECG_thiophene
Code for Generalized ECG for thiophene polymers paper
TheJacksonLab/QM_ML_BondBreaking
TheJacksonLab/CDS_Projects_2023
Repository for CDS Course Final Projects for Fall 2023
TheJacksonLab/ReactivityRatios
TheJacksonLab/shortest_path_thermoset
Repository for shortest path analysis in thermosets
TheJacksonLab/ChiralLCPolymerML
TheJacksonLab/condition_set_opt
Repository for code that produces results in the paper "Active Learning High Coverage Sets of Complementary Reaction Conditions"
TheJacksonLab/ContinuouslyGatedMessagePassing
TheJacksonLab/DKL_ECG
Code for DKL-ECG implementation in "Bypassing Backmapping: Coarse-Grained Electronic Property Distributions Using Heteroscedastic Gaussian Processes"
TheJacksonLab/ECG_ScoringMetric
TheJacksonLab/Community-Engaged-Test-Sets
TheJacksonLab/ECG_LAMMPS
Repository for implementation of ECG-style methods in LAMMPS
TheJacksonLab/ExtendedMetaboliteReactionNetwork
TheJacksonLab/MLforElectronicCouplings
Data and code for pedagogical examples in "Machine Learning Intermolecular Electronic Couplings: Opportunities and Challenges
TheJacksonLab/P3HTF4TCNQDimerAnalysis
Repository for charge transfer analysis of P3HT/F4TCNQ dimer configurations
TheJacksonLab/polymer-data-workshop-2026
Official Website for the International Workshop on Polymer Data
TheJacksonLab/TheJacksonLab.github.io