Official implementation for BioKinema
☆30Sep 10, 2026Updated this week
Alternatives and similar repositories for BioKinema
Users that are interested in BioKinema are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PyRosetta4 v2026-02-06 with (Global Interpreter Lock) disabled☆20Mar 22, 2026Updated 5 months ago
- [Neurips 2025] Official Implementation of ConfRover models☆32Feb 3, 2026Updated 7 months ago
- Pharmacophore Elucidation with Convolutional Neural Networks and Reinforcement Learning☆17Apr 7, 2025Updated last year
- Metal and Water prediction☆16Feb 5, 2025Updated last year
- [JCIM 2026] Biasing Conformational Sampling in AlphaFold 3 and Boltz-2 via Pair Representation Scaling☆32Aug 20, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆64Dec 16, 2025Updated 8 months ago
- [ICLR'26] Towards All-Atom Foundation Models for Biomolecular Binding Affinity Prediction☆23Jul 9, 2026Updated 2 months ago
- A drop-in replacement for Rosetta Relax☆30Jan 30, 2026Updated 7 months ago
- Tokenizing Loops of Antibodies☆37Nov 23, 2025Updated 9 months ago
- ☆15Aug 8, 2025Updated last year
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆51Nov 4, 2025Updated 10 months ago
- Generative modeling of molecular dynamics trajectories☆228Mar 22, 2026Updated 5 months ago
- Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"☆93Jun 6, 2026Updated 3 months ago
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆100May 16, 2026Updated 3 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.☆64Mar 30, 2026Updated 5 months ago
- Metadiffusion implemented in Boltz-2☆24Feb 23, 2026Updated 6 months ago
- Learning Harmonic Molecular Representations on Riemannian Manifold, ICLR, 2023☆25Mar 23, 2023Updated 3 years ago
- ☆19Aug 31, 2026Updated last week
- ☆12May 12, 2025Updated last year
- Light, Practical, memory-enabled AI orchestrator for science. Built on NanoClaw.☆30Mar 19, 2026Updated 5 months ago
- ☆55May 29, 2026Updated 3 months ago
- A pipeline that used ML model based on Rosetta descriptors to predict the binding affinity of protein-protein complexes☆54Oct 27, 2025Updated 10 months ago
- Propose CDR single-point mutations that rescue antibody expression without disrupting antigen binding, using bound vs. unbound ProteinMPN…☆15May 26, 2026Updated 3 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆67Jan 19, 2026Updated 7 months ago
- ☆16Jul 9, 2024Updated 2 years ago
- ☆17Jun 3, 2025Updated last year
- ☆18Oct 29, 2025Updated 10 months ago
- ☆27Aug 25, 2023Updated 3 years ago
- Codebase of the paper "Aligning Protein Conformation Ensemble Generation with Physical Feedback" (ICML 2025)☆18Jul 6, 2025Updated last year
- An Open-source Drug Discovery Engine☆468Sep 2, 2026Updated last week
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- ☆10Aug 20, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆24Apr 10, 2025Updated last year
- A PyTorch implementation of Uni-Mol3.☆24Mar 24, 2026Updated 5 months ago
- de novo design of high affinity biological binders☆200Sep 1, 2026Updated last week
- Large Language Model--大模型学习笔记☆13Feb 11, 2026Updated 7 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- ☆19Aug 31, 2025Updated last year
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆23Feb 23, 2026Updated 6 months ago