Alternatives and similar repositories for maxent:

Users that are interested in maxent are comparing it to the libraries listed below

• Ryan-Rhys / FlowMO
  Library for training Gaussian Processes on Molecules
  ☆36Updated 3 years ago
• Jonas-Verhellen / Bayesian-Illumination
  Bayesian Illumination is an accelerated generative model for optimization of small molecules.
  ☆15Updated 8 months ago
• choderalab / pinot
  Probabilistic Inference for NOvel Therapeutics
  ☆15Updated 3 years ago
• tiwarylab / DynamicsAE
  A deep learning-based framework to uniquely identify an uncorrelated, isometric and meaningful latent representation.
  ☆17Updated last year
• noegroup / bgmol
  Molecular mechanics systems and simulation data
  ☆15Updated 9 months ago
• rochesterxugroup / DSGPM
  Deep Supervised Graph Partitioning Model
  ☆14Updated 3 years ago
• wwang2 / Coarse-Graining-Auto-encoders
  ☆40Updated 3 years ago
• brianhie / uncertainty
  Learning with uncertainty for biological discovery and design
  ☆34Updated last year
• josejimenezluna / xaibench_tf
  Supporting models and data to doi 10.1021/acs.jcim.1c01163
  ☆15Updated 2 years ago
• lukasturcani / vabene
  Make valid molecular graphs!
  ☆22Updated last year
• bytedance / OpenMM-Python-Force
  Run OpenMM with forces provided by any Python program
  ☆32Updated 2 months ago
• wwang2 / CoarseGrainingVAE
  Geometric super-resolution for molecular geometries
  ☆39Updated 2 years ago
• learningmatter-mit / Atomistic-Adversarial-Attacks
  Code for performing adversarial attacks on atomistic systems using NN potentials
  ☆36Updated 2 years ago
• leojklarner / Q-SAVI
  Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
  ☆24Updated last year
• EleutherAI / mp_nerf
  Massively-Parallel Natural Extension of Reference Frame
  ☆30Updated 2 years ago
• alexjli / terminator_public
  Neurally-derived Potts models for protein design, inspired by dTERMen
  ☆15Updated 2 years ago
• ml-jku / mgenerators-failure-modes
  Shows some of the ways molecule generation and optimization can go wrong
  ☆16Updated last year
• gmum / graph-representations
  Comparing graph representations for molecular features prediction
  ☆21Updated last year
• choderalab / gimlet
  Graph Inference on MoLEcular Topology
  ☆26Updated last year
• ur-whitelab / nmrgnn
  Graph neural network for predicting NMR chemical shifts
  ☆48Updated 2 years ago
• aspuru-guzik-group / assessing_mol_prediction_confidence
  https://arxiv.org/abs/2102.11439
  ☆20Updated 3 years ago
• VincentStimper / boltzmann-generators
  Implementation of methods to sample from Boltzmann distributions
  ☆19Updated 2 years ago
• Bitbol-Lab / DiffPALM
  Differentiable Pairing using Alignment-based Language Models
  ☆19Updated last year
• plainerman / Variational-Doob
  Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling
  ☆46Updated last week
• julie-forman-kay-lab / IDPConformerGenerator
  Build conformational representations of Intrinsically Disordered Proteins and Regions by a guided sampling of the protein torsion space
  ☆22Updated 3 weeks ago
• valence-labs / mood-experiments
  Molecular Out-Of-Distribution
  ☆37Updated last year
• RodrigoAVargasHdz / huxel_molecule_desing
  Hückel model + JAX
  ☆12Updated 2 years ago
• itakigawa / pyg_chemprop
  A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.
  ☆21Updated 2 years ago
• jscant / PointVS
  SE(3)-equivariant point cloud networks for virtual screening
  ☆20Updated last year
• zrqiao / torch-gauge
  A light-weight PyTorch extension for equivariant deep learning
  ☆15Updated 3 weeks ago