cfarm6
- Engineering Ph.D. Student at Liberty University - Chief of Operations at @VagusLLC
Liberty UniversityVirginia
Pinned Repositories
3rd_workshop_advanced_sampling
Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling
academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
activeLearningPFASLinear
Data-driven discovery of linear molecular probes with optimal selective affinity for PFAS in water
alchemical-best-practices
Best practice document for alchemical free energy calculations going to livecoms journal
bks-silica
Simulations of BKS silica in LAMMPS
bond_graph_elements
BondGraphPictures
ccs-prediction
Evaluating the generalizability of graph neural networks for predicting collision cross section
ContinuumMechanicsBase.jl
Definition of basic tensors for continuum mechanics calculations
Hyperelastics.jl
Hyperelastic Material modelling with support for Automatic Differentiation
cfarm6's Repositories
cfarm6/3rd_workshop_advanced_sampling
Material for the 3rd i-CoMSE Workshop: Methods for Advanced Sampling
cfarm6/activeLearningPFASLinear
Data-driven discovery of linear molecular probes with optimal selective affinity for PFAS in water
cfarm6/alchemical-best-practices
Best practice document for alchemical free energy calculations going to livecoms journal
cfarm6/BondGraphPictures
cfarm6/ccs-prediction
Evaluating the generalizability of graph neural networks for predicting collision cross section
cfarm6/cfarm6.github.io
cfarm6/chemiscope
An interactive structure/property explorer for materials and molecules
cfarm6/ChemTSv2
Refined and extended version of ChemTS
cfarm6/crs_demo
cfarm6/diff_pd_public
cfarm6/PlotlyLight.jl
Plotly.js 🤝 Julia
cfarm6/cv
cfarm6/DielectricSpectroscopyTheory
cfarm6/ENGR705_Research_Paper
cfarm6/graff-ms
Efficiently predicting high resolution mass spectra with graph neural networks
cfarm6/hero_common
This project contributes to an open source ROS-based framework for swarm robotics. We propose an low cost, high availability swarm system that could be printed and assembled multiple times without special knowledge or hardware skills.
cfarm6/isicle
In silico chemical library engine for high-accuracy chemical property prediction
cfarm6/MassBank-data
Official repository of open data MassBank records
cfarm6/matrixcalc
MIT IAP short course: Matrix Calculus for Machine Learning and Beyond
cfarm6/ModFlow
cfarm6/ms-pred
Predicting tandem mass spectra from molecules
cfarm6/mudiff
cfarm6/parse-pdb
A small utility for parsing PDB files into useable JSON
cfarm6/PFAScreen
PFAScreen is an open-source Python based non-target screening software tool to prioritize potential PFAS features in raw data from LC- or GC-HRMS measurements with a simple GUI. It uses several prioritization techniques such as the MD/C-m/C approach, KMD analysis, and fragment mass differences and diagnostic fragments in the MS2 data.
cfarm6/PlutoSliderServer.jl
Web server to run just the `@bind` parts of a Pluto.jl notebook
cfarm6/pubchemqc_b3lyp_pm6
Scrips for pubchemqc_b3lyp_pm6 just for reference.
cfarm6/PyVibMS
A PyMOL plugin for visualizing vibrations in molecules and solids
cfarm6/RDKitMinimalLib.jl
RDKitMinimalLib wrapper for the Julia programming language
cfarm6/SmartManufacturingResearchWeek2022
cfarm6/Templates