Austin Tripp (@AustinT)
github

AustinT

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Top repositories

1

mol_ga

Simple, lightweight package for genetic algorithms on molecules
Python
38
star
2

nn-quine

Implementation of neural network quine (https://arxiv.org/abs/1803.05859)
Python
8
star
3

ai4sci-2021-denovo-benchmarks

Code for workshop paper "A Fresh Look at De Novo Molecular Design Benchmarks" at the NeurIPS AI for Science NeurIPS 2021 Workshop
Python
6
star
4

basic-mol-bo-workshop2024

Proof of concept molecule BO
Python
5
star
5

guacamol-molecules

Lists of molecules for the GuacaMol objectives.
3
star
6

seed-mobo-for-molecules

Seed repository for multi-objective BO over molecule space
Jupyter Notebook
2
star
7

sparse-matrices-tips

Tips and tricks for sparse matrices in python
Jupyter Notebook
2
star
8

retro-fallback-iclr24

Official code to accompany the ICLR 2024 paper "Retro-fallback: retrosynthetic planning in an uncertain world"
Python
2
star
9

book-summaries

Summaries of books I have read
1
star
10

risk-of-speeding

Brief Jupyter Notebook investigation into the expected value of speeding (in Ontario)
Jupyter Notebook
1
star
11

kernel-only-GP

Tiny package for GPs using the kernel matrix as inputs
Python
1
star
12

rough-tanimoto-jax

Trial implementation of Tanimoto Kernels + Random features in Jax
Python
1
star
13

monte_carlo_calculate_pi

Simple Monte Carlo Program to estimate the value of pi. Puts random points in a grid and counts how many lie within the unit circle.
Python
1
star
14

tanimoto-random-features-neurips23

Official code to accompany the NeurIPS 2023 paper "Tanimoto Random Features for Scalable Molecular Machine Learning"
Python
1
star