hgbrian

whisper

Robust Speech Recognition via Large-Scale Weak Supervision

khoj

Your AI second brain. Get answers to your questions, whether they be online or in your own notes. Use online AI models (e.g gpt4) or private, local LLMs (e.g llama3). Self-host locally or use our cloud instance. Access from Obsidian, Emacs, Desktop app, Web or Whatsapp.

chroma

A generative model for programmable protein design

hyena-dna

Official implementation for HyenaDNA, a long-range genomic foundation model built with Hyena

tequila

A High-Level Abstraction Framework for Quantum Algorithms

python-imgcat

🖼 imgcat in Python (for iTerm2)

pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

Uni-Dock

Uni-Dock: a GPU-accelerated molecular docking program

pytraj

Python interface of cpptraj

GENA_LM

GENA-LM is a transformer masked language model trained on human DNA sequence.

BFEE2

binding free energy estimator 2

FlowSite

Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design"

plex

Platform for running comp bio applications on distributed compute and storage infrastructure

pyPept

pyPept: a python library to generate atomistic 2D and 3D representations of peptides

SurfGen

SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation

lig3dlens

Orphadata_aggregated

Provided files are a partial extraction of the Orphanet knowledge base on Rare Diseases

pAPRika

Advanced toolkit for binding free energy calculations

SolTranNet

Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility

seekr2

Simulation-Enabled Estimation of Kinetic Rates - Version 2

deepQM

PyMM

A Python program for QM/MM Simulations based on the Perturbed Matrix Method

autofragdiff

ColabDesign-cyclic-binder

Spec2Mol

PointVS

SE(3)-equivariant point cloud networks for virtual screening

mmpbsa_from_openmm

example demonstrating a free energy estimation starting from OFF and OpenMM

CHARMING

Contains CHARMING.py and its associated README.md

radar-rna-sensing

Code, analyses, and other resources accompanying the RADAR manuscript.

funk-et-al-2008-llm-meta-analysis

Implementation of a literature meta-analysis using GPT-4.