AIRI-Institute / GOLFLinks
GOLF: Gradual Optimization Learning for Conformational Energy Minimization
☆19Updated 10 months ago
Alternatives and similar repositories for GOLF
Users that are interested in GOLF are comparing it to the libraries listed below
Sorting:
- nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset☆210Updated 3 months ago
- Spatial Epitope Modeling with Artificial intelligence (SEMA)☆39Updated last year
- GENA-LM is a transformer masked language model trained on human DNA sequence.☆196Updated this week
- Lo-Hi Splitter for Modern Splits of Molecular Datasets☆52Updated 8 months ago
- [ICML 2025 GenBio Workshop] Official Implementation for "Electrostatics from Laplacian Eigenbasis for Neural Network Interatomic Potentia…☆15Updated 2 weeks ago
- MULAN: Multimodal Protein Language Model for Sequence and Structure Encoding☆18Updated last month
- This is the official implementation of "ImageReFL: Balancing Quality and Diversity in Human-Aligned Diffusion Models"☆35Updated 2 weeks ago
- ☆30Updated last year
- BERT-based model for Russian language biomedical text mining☆23Updated 2 years ago
- ☆8Updated last month
- eco4cast library aims to reduce carbon footprint of machine learning models with predictive cloud computing scheduling☆17Updated 10 months ago
- The official codebase of the paper "Chemical language modeling with structured state space sequence models"☆79Updated 10 months ago
- A neural network training framework within a task-based parallel programming paradigm☆54Updated 2 weeks ago
- A library built upon PyTorch for building embeddings on discrete event sequences using self-supervision☆9Updated 4 months ago
- Tutorial on generative models based on ordinary (ODE) and stochastic (SDE) differential equations☆45Updated last year
- The Hierarchical Intrinsically Motivated Agent (HIMA) is an algorithm that is intended to exhibit an adaptive goal-directed behavior usin…☆38Updated 4 months ago
- Code for the paper Progressive Inference-Time Annealing of Diffusion Models for Sampling from Boltzmann Densities.☆19Updated this week
- Simulator for training and evaluation of Recommender Systems☆56Updated 3 months ago
- Deep Generative Models course, 2023☆55Updated last year
- ☆2Updated 3 years ago
- Language models for drug discovery using torchrl☆91Updated 2 weeks ago
- test for tinkoff dl☆9Updated 2 years ago
- ☆16Updated 9 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆99Updated 10 months ago
- torch-molecule is a deep learning package for molecular discovery, designed with an sklearn-style interface for property prediction, inve…☆226Updated last week
- A single model for all your molecular design tasks☆126Updated 6 months ago
- Plausibility checks for generated molecule poses.☆290Updated 3 weeks ago
- A Python package for processing molecules with RDKit in scikit-learn☆198Updated last week
- Pose checks for 3D Structure-based Drug Design methods☆82Updated 7 months ago
- Supporting code for our paper "Protein Sequence Modelling with Bayesian Flow Networks"☆44Updated 3 months ago