Popular GitHub Repositories for Brute Force

HungaBunga: Brute-Force all sklearn models with all parameters using .fit .predict!

Accurate Neural Network Potential on PyTorch

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

[ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations

Tensorflow + Molecules = TensorMol

[ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs

List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning

ANI-1 neural net potential with python interface (ASE)

Code for "Reactive Diffusion Policy: Slow-Fast Visual-Tactile Policy Learning for Contact-Rich Manipulation"

Pytorch differentiable molecular dynamics

Force Remove Copilot and Recall in Windows

[NeurIPS 2020] Official PyTorch Implementation of "Residual Force Control for Agile Human Behavior Imitation and Extended Motion Synthesis". NeurIPS 2020.

A collection of Nerual Network Models for chemistry

MACE-MP models

PyInstaCrack: Ultimate Instagram hacking suite. Python-driven, AI-enhanced, brute-force chaos. Stealth ops, ethical only. Slice through defenses like a cyber god! ⚡☠️

SO3krates and Universal Pairwise Force Field for Molecular Simulation

Auto-differentiable and hardware-accelerated force density method

Official Implemetation of ConfDiff (ICML'24) - Protein Conformation Generation via Force-Guided SE(3) Diffusion Models