flawnson/Melting_point_predictor_NN_Regression flawnson/Melting_point_predictor_NN_Regression

  • Stars
    star
    9
  • Rank 1,929,476 (Top 39 %)
  • Language
    Python
  • Created over 5 years ago
  • Updated over 5 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
flawnson/Melting_point_predictor_NN_Regression
github

flawnson

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Project Molten is the precurssor to Project Deliquesces. The goal is to be able to predict the melting point of a given molecule. The model receives integerized SMILES strings labeled with the normalized melting point temperates.

More Repositories

1

Graph_convolutional_NN_molecule_maker

A Graph Neural Network (Geometric machine learning) for molecular generation
Python
20
star
2

Carbon_Molecule_Autoencoder-master

A Carbon molecule autoencoder neural network
Python
7
star
3

NN-Solubility-predictor

A neural network model that predicts the solubility of a given molecule in room temperature water.
Python
6
star
4

Molecule_generating_RNN

An RNN trained on a dataset of molecular SMILES to generate novel molecules.
Python
3
star
5

NN_Charge_Classifier-master

Python
3
star
6

scripts_n_snippits

Scripts, utilities, and bites of code used to practice, learn, and keeping/enhancing productivity
Jupyter Notebook
2
star
7

Simple_Perceptron

A simple perceptron I built
Python
2
star
8

dotfiles

Dotfiles and config stored in my user directory.
Vim Script
1
star
9

Ouroboros

Introverted NNs
Python
1
star
10

Generic_GNN

A generic GNN pipeline with DGL
Python
1
star
11

light_fraction_computing_NN

Project Monochrome: Deltahacks project, an A.I capable of computing the fraction of light vs dark pixels in an image of irregular polygons.
Jupyter Notebook
1
star
12

Portfolio_Website

Repo for website and blog
HTML
1
star
13

Medai_NN_CNN_Emotion_Classifier

Project Medai, our CNN for emotional classification submission for Starterhacks 2019 with Grace, WIllson, Harrison, and Franklin
Python
1
star
14

Multivariate_modular_metabolic_network_predictor

A neural network capable of taking any of the given 29 datasets as input data and label
Python
1
star
15

Atomic_coordinates-energy_NNPs

A repo for the code developed for extracting atomic coordinates and energies to train atomic NNs and neural network potentials.
Python
1
star
16

Multivariate_molecular_weight-predictor_NN

A neural network project I built with Pytorch that receives multiple datapoints about a molecule and predicts said molecule's molecular weight
Python
1
star
17

Neutrino_detection_binary_classification_polymodel

A program that aggregates the classification results of a user specified number of machine learning models. The output is less prone to overfitting as it can balance out biased results.
Python
1
star