ahasson

ahasson's Stars

• facebookresearch/fairseq

  Facebook AI Research Sequence-to-Sequence Toolkit written in Python.

  Language:Python30.1k4284.2k6.4k

• deepchem/deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python5.4k1441.7k1.7k

• nmslib/nmslib

  Non-Metric Space Library (NMSLIB): An efficient similarity search library and a toolkit for evaluation of k-NN methods for generic non-metric spaces.

  Language:C++3.4k93430448

• BOINC/boinc

  Open-source software for volunteer computing and grid computing.

  Language:PHP2k1123k443

• martinshkreli/models

  stock market models - have fun

  Language:HTML1.2k1287153

• lucidrains/alphafold3-pytorch

  Implementation of Alphafold 3 in Pytorch

  Language:Python855413289

• ccsb-scripps/AutoDock-GPU

  AutoDock for GPUs and other accelerators

  Language:C++38415203104

• samoturk/mol2vec

  Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures

  Language:Python2531114110

• maabuu/posebusters

  Plausibility checks for generated molecule poses.

  Language:Python20731913

• patrickbryant1/Umol

  Protein-ligand structure prediction

  Language:Jupyter Notebook18263317

• NVIDIA/MegaMolBART

  A deep learning model for small molecule drug discovery and cheminformatics based on SMILES

  Language:Python1407724

• aspuru-guzik-group/stoned-selfies

  This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

  Language:Jupyter Notebook11910636

• BioSystemsUM/DeepMol

  DeepMol: A Machine and Deep Learning Framework for Computational Chemistry

  Language:Python10185810

• schrodinger/gpusimilarity

  A Cuda/Thrust implementation of fingerprint similarity searching

  Language:C++97193126

• steveseguin/captionninja

  Closed-captioning transcription tool for OBS that generates text overlays using real-time ML.

  Language:HTML935820

• aspuru-guzik-group/JANUS

  Code for the paper "JANUS: Parallel Tempered Genetic Algorithm Guided by Deep Neural Networks for Inverse Molecular Design"

  Language:Python759914

• VirtualFlow/VFLP

  VirtualFlow for Ligand Preparation

  Language:Shell514828

• LaboratorioBioinformatica/MARVEL

  MARVEL: Metagenomic Analyses and Retrieval of Viral ELements

  Language:Python494615

• RPirie96/RGMolSA

  Language:Jupyter Notebook33325

• njpipeorgan/L1000-bayesian

  L1000 peak deconvolution based on Bayesian analysis

  Language:Mathematica25407

• npolizzi/Combs

  Convergent motifs for binding sites

  Language:Python210

• tencent-quantum-lab/3T

  Tiered Tensor Transform (3T) multi-scale protein-ligand complex pocket structure generation & drug screening

  Language:Jupyter Notebook13007

• kevinmcgregor/mdine

  Language:C++115

• souyakuchan/LLM_DD_Challenge

  Dashboard for LLM Drug Discovery Challenge.

  1122

• drugilsberg/genenetweaver

  Python wrapper for GeneNetWeaver

  Language:Python7100

• oxpig/binding-sites

  Language:Python6002

• pth1993/CIGER

  CIGER - Chemical-induced Gene Expression Ranking

  Language:Python5106

• sib-swiss/megaclust

  unbiased hierarchical density based parallel clustering of large datasets

  Language:C32

• ocbinatli/mokpe

  Language:R1100