Alternatives and similar repositories for HPC-intro

Users that are interested in HPC-intro are comparing it to the libraries listed below

• EPFL-LCSB / skimpy
  Symbolic Kinetic Models with Python
  ☆32Updated 3 months ago
• sissa-data-science / DADApy
  Distance-based Analysis of DAta-manifolds in python
  ☆132Updated 2 months ago
• novonordisk-research / ProcessOptimizer
  A tool to optimize real world problems
  ☆107Updated 3 weeks ago
• azminewasi / Awesome-MoML-NeurIPS24
  ALL Molecular ML papers from NeurIPS'24.
  ☆59Updated 9 months ago
• anyuzx / HIPPS-DIMES
  3D Genome Reconstruction and Dynamics Prediction: Maximum Entropy Based HI-C/Distance Map - Polymer Physics - Structures Method
  ☆13Updated last week
• MachineLearningLifeScience / meaningful-protein-representations
  ☆110Updated 3 years ago
• virtualramblas / awesome-deep-learning-4-life-sciences
  A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).
  ☆140Updated 2 weeks ago
• genedisco / genedisco
  GeneDisco is a benchmark suite for evaluating active learning algorithms for experimental design in drug discovery.
  ☆40Updated 2 years ago
• valence-labs / mtl_summer_school_2024
  ☆44Updated last year
• aamini / chemprop
  Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual scree…
  ☆123Updated 4 years ago
• JacksonBurns / astartes
  Better Data Splits for Machine Learning
  ☆85Updated last month
• noegroup / paper_boltzmann_generators
  ☆88Updated 3 years ago
• murphy17 / graff-ms
  Efficiently predicting high resolution mass spectra with graph neural networks
  ☆29Updated 2 years ago
• lanl / minervachem
  a python library for cheminformatics and machine learning
  ☆17Updated 7 months ago
• xmwebb / GBCG
  ☆11Updated 6 years ago
• SergeiVKalinin / AutomatedExperiment_Summer2023
  The summer training course on the Bayesian Optimization
  ☆27Updated 2 years ago
• leojklarner / gauche
  A Library for Gaussian Processes in Chemistry
  ☆240Updated 10 months ago
• wangru25 / HERMES
  HERMES: A software package for simultaneous topological data analysis (persistent Betti numbers) and geometric data analysis (persistent …
  ☆19Updated last year
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆72Updated 2 years ago
• carlocamilloni / Structural-Bioinformatics
  This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the Universit…
  ☆83Updated 5 months ago
• hsidky / dmaps
  C++ Accelerated Python Diffusion Maps Library
  ☆23Updated 7 years ago
• kad-ecoli / pdb2fasta
  implementing PDB to FASTA file format conversion in multiple languages
  ☆20Updated 7 years ago
• Roestlab / massformer
  Tandem Mass Spectrum Prediction with Graph Transformers
  ☆93Updated last year
• pritampanda15 / Molecular-Dynamics
  Self explained tutorial for molecular dynamics simulation using gromacs
  ☆27Updated 9 months ago
• HUBioDataLab / SELFormer
  SELFormer: Molecular Representation Learning via SELFIES Language Models
  ☆96Updated 9 months ago
• CederGroupHub / sparse-lm
  Sparse Linear Regression Models
  ☆19Updated this week
• Ryan-Rhys / The-Photoswitch-Dataset
  Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://pubs.rsc.org/en/cont…
  ☆87Updated 2 years ago
• dimiboeckaerts / ProteinLanguageWorkshop
  An introductory workshop to protein language models
  ☆16Updated 3 years ago
• VlachosGroup / nextorch
  Experimental design and Bayesian optimization library in Python/PyTorch
  ☆53Updated last year
• avirshup / py3dmol
  ☆127Updated 9 years ago