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alphafold

Open source code for AlphaFold.

alphapulldown

ani1_dataset

A data set of 20 million calculated off-equilibrium conformations for organic molecules

ase_ani

ANI-1 neural net potential with python interface (ASE)

austin-bike-project

bch394-final-project

bert-flow

TensorFlow implementation of On the Sentence Embeddings from Pre-trained Language Models (EMNLP 2020)

bert-loves-chemistry

bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.

bioinformatics

BCH394 2019

cascade

CAlculation of NMR using Deep LEarning

cazy-parser

A way to extract specific information from CAZy

cdhit

Automatically exported from code.google.com/p/cdhit

chargefw2

The core part of Atomic Charge Calculator II.

chemospec

R functions for the chemometric analysis of spectra

coe322_fortran_assignments

All fortran codes from COE 322 Fall 2018

coe322_fortran_project_goldbach_conjecture

coe322_graded_assignments

All assignments turned in this semester

conplex

Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.

cpi_prediction

This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins.

cpp_bottom_up

cpp_cli

craigslist-checker

Send text when a new Craigslist posting matches a given keyword or phrase

danny305.github.io

This is my first ever contribution to the internet via a web page and is a work in progress.

darkchem

dec-da

Deep Embedded Clustering with Data Augmentation (DEC-DA). Performance on MNIST (acc=0.985, nmi=0.960).

deepdrug3d

A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.

deepsurf

A surface-based deep learning approach for the prediction of ligand binding sites on proteins

delphipka

Protonation and pKa calculation. For more information, please visit: http://compbio.clemson.edu/pka_webserver/

dig

A library for graph deep learning research

disease_propogation_model

A model that tracks how a disease spreads throughout a population as days go by until nobody is sick.