ebezzam / python-dev-tips

Related projects: ⓘ

• sissa-data-science / DADApy
  Distance-based Analysis of DAta-manifolds in python
  ☆103Updated this week
• CLAIRE-Labo / python-ml-research-template
  A template for starting reproducible Python machine-learning projects with hardware acceleration. Find an example at https://github.com/C…
  ☆57Updated last week
• chaitjo / geometric-rna-design
  gRNAde: Geometric Deep Learning for 3D RNA inverse design
  ☆145Updated 3 months ago
• smsharma / minified-generative-models
  Bare-bones implementations of some generative models in Jax: diffusion, normalizing flows, consistency models, flow matching, (beta)-VAEs…
  ☆118Updated 9 months ago
• Genentech / walk-jump
  Official repository for discrete Walk-Jump Sampling (dWJS)
  ☆50Updated 9 months ago
• pyt-team / TopoBenchmarkX
  TopoBenchmarkX is a Python library designed to standardize benchmarking and accelerate research in Topological Deep Learning
  ☆65Updated last week
• valence-labs / mtl_summer_school_2024
  ☆32Updated 3 months ago
• polaris-hub / polaris
  Foster the development of impactful AI models in drug discovery.
  ☆75Updated this week
• recursionpharma / gflownet
  GFlowNet library specialized for graph & molecular data
  ☆195Updated 2 weeks ago
• ml-jku / cloome
  ☆31Updated 10 months ago
• alexhernandezgarcia / gflownet
  Generative Flow Networks - GFlowNet
  ☆161Updated 3 weeks ago
• whitead / minimalaf
  Minimal AlphaFold
  ☆49Updated 3 weeks ago
• OpenBioML / protein-lm-scaling
  ☆55Updated 5 months ago
• e3nn / e3nn-jax
  jax library for E3 Equivariant Neural Networks
  ☆175Updated last month
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆203Updated last month
• sparks-baird / dist-matrix
  Fast Numba-enabled CPU and GPU computations of Earth Mover's (scipy.stats.wasserstein_distance) and Euclidean distances.
  ☆16Updated last year
• datamol-io / graphium
  Graphium: Scaling molecular GNNs to infinity.
  ☆193Updated this week
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆84Updated last month
• biolists / biodiffusion
  A list of manuscripts/tools using diffusion on biological enttieis
  ☆96Updated 11 months ago
• chaitjo / geometric-gnn-dojo
  Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.
  ☆456Updated 3 months ago
• pgniewko / forward_forward_vhts
  The Forward-Forward Algorithm for Drug Discovery
  ☆34Updated last year
• jasonkyuyim / multiflow
  ☆104Updated 6 months ago
• openmm / spice-dataset
  A collection of QM data for training potential functions
  ☆146Updated last month
• microsoft / two-for-one-diffusion
  This Denoising Force Field (DFF) codebase provides a Pytorch framework for the method presented in Two for one: Diffusion models and forc…
  ☆48Updated 3 months ago
• sherrylixuecheng / AI_for_Science_paper_collection
  List the AI for Science papers accepted by top conferences
  ☆55Updated this week
• ACEsuit / mace-layer
  Higher order equivariant graph neural networks for 3D point clouds
  ☆33Updated last year
• pyt-team / TopoNetX
  Computing on Topological Domains
  ☆175Updated last month
• wiseodd / lapeft-bayesopt
  Discrete Bayesian optimization with LLMs, PEFT finetuning methods, and the Laplace approximation.
  ☆14Updated last month
• graphcore-research / minimol
  MiniMol is a 10M-parameters molecular fingerprinting model pre-trained on >3300 biological and quantum tasks
  ☆14Updated this week
• graphcore-research / pyscf-ipu
  PySCF on IPU
  ☆41Updated 6 months ago